Nifekalant

Nifekalant

SCHEMBL243693

Cl.Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Nifekalant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 known ✓ Q12809 3/20 0.98
▸ ADRB1 known ✓ P08588 1/20 0.98
▸ SLC6A4 known ✓ P31645 1/20 0.98
▸ SLC22A2 O15244 1/20 0.98
▸ SLC47A2 Q86VL8 1/20 0.98
▸ SLC47A1 Q96FL8 1/20 0.98
▸ TAAR1 Q96RJ0 1/20 0.46
▸ CYP1A2 P05177 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nifekalant SCHEMBL157527 0.99 KCNH2 (1.00) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Nifekalant SCHEMBL1649642 0.97 KCNH2 (0.96) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386021 0.96 KCNH2 (0.94) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9389997 0.95 KCNH2 (0.93) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386126 0.94 KCNH2 (0.91) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9388704 0.93 KCNH2 (0.89) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Nifekalant SCHEMBL10430098 0.93 KCNH2 (0.88) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9384098 0.93 KCNH2 (0.88) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9386654 0.92 KCNH2 (0.86) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9388202 0.91 KCNH2 (0.86) KCNH2SLC22A2ADRB1SLC6A4SLC47A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113747562-B SR prohibit timer duration setting method, system, intelligent device and storage medium 上海擎昆信息科技有限公司 2024-03-19 — — CN claimed
CN-102449165-A Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF 2012-05-09 — — CN claimed
EP-2414543-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE Decode Genetics EHF (IS) 2012-02-08 — — EP claimed
US-20120021989-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE DECODE GENETICS EHF. (IS) 2012-01-26 — — US claimed
WO-2011042920-A1 GENETIC VARIANTS INDICATIVE OF VASCULAR CONDITIONS DECODE GENETICS EHF (IS) 2011-04-14 — — WO claimed
WO-2010113185-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF ATRIAL FIBRILLATION AND STROKE DECODE GENETICS EHF (IS) 2010-10-07 — — WO claimed
US-20090325163-A1 GENETIC MARKERS FOR RISK MANAGEMENT OF CARDIAC ARRHYTHMIA DECODE GENETICS EHF (IS) 2009-12-31 — — US claimed
EP-2121979-A2 GENETIC MARKERS FOR RISK MANAGEMENT OF CARDIAC ARRHYTHMIA Decode Genetics EHF (IS) 2009-11-25 — — EP claimed
WO-2008068780-A2 GENETIC MARKERS FOR RISK MANAGEMENT OF CARDIAC ARRHYTHMIA DECODE GENETICS EHF. (IS) 2008-06-12 — — WO claimed
EP-2841109-B1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA AS (DK) 2026-04-15 — — EP disclosed
US-12564594-B2 Pharmaceutical composition containing 9-ethyl-6, 6-dimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6, 11-dihydro-5H-benzo[b]carbazole-3-carbonitrile CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-03-03 — — US disclosed
US-12559492-B2 BRAF degraders C4 THERAPEUTICS, INC. (US) 2026-02-24 — — US disclosed
EP-4681715-A2 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
EP-4076450-B1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS INC (US) 2025-12-10 — — EP disclosed
EP-1797900-A1 PREPARATION FOR PERCUTANEOUS/PERMUCOSAL ABSORPTION KABUSHIKI KAISHA SANGI (JP) 2007-06-20 — — EP disclosed
US-20070135412-A1 Compounds for the treatment of ocular dryness caused by photorefractive surgery UNIVERSIDAD MIGUEL HERNANDEZ (ES) 2007-06-14 — — US disclosed
EP-1743895-A1 MUSCLE RELAXATION ACCELERATOR AND THERAPEUTIC AGENT FOR MUSCULAR TISSUE DISEASES SUCH AS MUSCLE RELAXATION FAILURE AETAS PHARMA CO., LTD. (JP) 2007-01-17 — — EP disclosed
EP-1700616-A1 COMPOUNDS FOR THE TREATMENT OF OCULAR DRYNESS CAUSED BY PHOTOREFRACTIVE SURGERY Universidad Miguel Hernandez de Elche (ES) 2006-09-13 — — EP disclosed
EP-0722732-A1 Long-acting drug formulation containing pyrimidinedione derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-24 — — EP disclosed
EP-0640341-A1 Sustained release pharmaceutical composition and process for producing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-03-01 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12559492-B2 BRAF degraders BRAF, NRAS, HRAS KCNH2 2560/4885ADRB1 797/4885SLC6A4 3351/4885
US-12564594-B2 Pharmaceutical composition containing 9-ethyl-6, 6-dimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6, 11-dihydro-5H-benzo[b]carbazole-3-carbonitrile KCNN2, KCNN1, KIT KCNH2 739/4885ADRB1 2562/4885SLC6A4 1630/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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