Netropsin

Netropsin

SCHEMBL951644

Cl.Cl.Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N.O

nearest known ligand 0.71

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 Netropsin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 known ✓ P11387 2/20 0.71
ESR1 known ✓ P03372 13/20 0.69
ESR2 known ✓ Q92731 13/20 0.69
HDAC1 known ✓ Q13547 2/20 0.40
HDAC2 known ✓ Q92769 2/20 0.40
HDAC8 known ✓ Q9BY41 2/20 0.40
ERBB2 known ✓ P04626 1/20 0.34
PRKCA known ✓ P17252 1/20 0.33
KDM4E B2RXH2 1/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 1/20 0.70
HIF1A Q16665 1/20 0.70
HRAS P01112 14/20 0.69

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
Netropsin SCHEMBL4953090 0.99 TOP1 (0.72) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL10408939 0.99 TOP1 (0.72) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL14267762 0.98 TOP1 (0.74) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL197747 0.98 TOP1 (0.74) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL12348338 0.96 TOP1 (0.70) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL12348157 0.92 TOP1 (0.65) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL19288091 0.89 TOP1 (0.62) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL4955084 0.88 TOP1 (0.56) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL4284668 0.87 TOP1 (0.60) TOP1KDM4EPOLBMAPTHIF1A
Hydrochloric Acid SCHEMBL10693314 0.86 TOP1 (0.72) TOP1KDM4EPOLBMAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027191-A1 COMPOSITIONS AND METHODS FOR TREATING BACTERIAL DISEASE UNIV ARIZONA (US) 2026-01-29 US disclosed
EP-4628100-A2 ANTI-VIRAL COMPOUNDS AND METHODS FOR ADMINISTRATION THEREOF Gregg, John Malcolm Hall (US) 2025-10-08 EP disclosed
US-12285413-B2 Anti-viral agents and methods for administration thereof GREGG JOHN M H (US) 2025-04-29 US disclosed
US-20250099566-A1 COMPOSITIONS AND METHODS FOR TREATING BACTERIAL DISEASE NATIONAL INSTITUTES OF HEALTH 2025-03-27 US disclosed
US-20240173456-A1 THERAPEUTIC COMPOSITIONS FOR WOUND TREATMENT ARIZONA BOARD OF REGENTS ON BEHALF OF NORTHERN ARIZONA UNIVERSITY 2024-05-30 US disclosed
WO-2023201345-A2 COMPOSITIONS AND METHODS FOR TREATING BACTERIAL DISEASE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-10-19 WO disclosed
US-20230263778-A1 ANTI-VIRAL COMPOUNDS AND METHODS FOR ADMINISTRATION THEREOF GREGG JOHN M H (US) 2023-08-24 US disclosed
WO-2023137320-A2 COMPOSITIONS AND METHODS FOR TREATING BACTERIAL DISEASE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-07-20 WO disclosed
US-20230201167-A1 ANTI-VIRAL AGENTS AND METHODS FOR ADMINISTRATION THEREOF GREGG JOHN M H (US) 2023-06-29 US disclosed
EP-4110330-A1 ANTI-VIRAL COMPOUNDS AND METHODS FOR ADMINISTRATION THEREOF Gregg, John Malcolm Hall (US) 2023-01-04 EP disclosed
US-20130029030-A1 METHOD FOR PROMOTION OF HEMOSTASIS AND/OR WOUND HEALING Ferrosan Medical Devices A/S (DK) 2013-01-31 US disclosed
EP-2259803-B1 DEVICE FOR PROMOTION OF HEMOSTASIS AND/OR WOUND HEALING FERROSAN MEDICAL DEVICES AS (DK) 2012-09-05 EP disclosed
US-20110256232-A1 ANTIMICROBIAL COMPOSITION FROM COPEPODS NOFIMA INGREDIENS (NO) 2011-10-20 US disclosed
US-20110212090-A1 Combinatorial Analysis and Repair DAKO DENMARK A/S 2011-09-01 US disclosed
EP-2346516-A2 ANTIMICROBIAL COMPOSITION FROM COPEPODS Nofima Ingrediens (NO) 2011-07-27 EP disclosed
US-20110021964-A1 Device for Promotion of Hemostasis and/or Wound Healing Ferrosan Medical Devices A/S (DK) 2011-01-27 US disclosed
EP-2259803-A2 DEVICE FOR PROMOTION OF HEMOSTASIS AND/OR WOUND HEALING Ferrosan Medical Devices A/S (DK) 2010-12-15 EP disclosed
WO-2010049454-A2 ANTIMICROBIAL COMPOSITION FROM COPEPODS NOFIMA INGREDIENS (NO) 2010-05-06 WO disclosed
WO-2010009735-A2 COMBINATORIAL ANALYSIS AND REPAIR DAKO DENMARK A/S (DK) 2010-01-28 WO disclosed
WO-2009109194-A2 DEVICE FOR PROMOTION OF HEMOSTASIS AND/OR WOUND HEALING FERROSAN A/S (DK) 2009-09-11 WO 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 (4 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-20230263778-A1 ANTI-VIRAL COMPOUNDS AND METHODS FOR ADMINISTRATION THEREOF ACE2, ACE, SARS1 TOP1 933/4885ESR1 4530/4885ESR2 3243/4885
US-20260027191-A1 COMPOSITIONS AND METHODS FOR TREATING BACTERIAL DISEASE DNMT3L, DNMT3A, DNMT1 TOP1 45/4885ESR1 2305/4885ESR2 3906/4885
US-12285413-B2 Anti-viral agents and methods for administration thereof ACE2, ACE, MAVS TOP1 1753/4885ESR1 4646/4885ESR2 3048/4885
US-20230201167-A1 ANTI-VIRAL AGENTS AND METHODS FOR ADMINISTRATION THEREOF ACE2, ACE, MAVS TOP1 1753/4885ESR1 4646/4885ESR2 3048/4885

“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.