Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4506331

Cl.O=C(NCCNCCNC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.77

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 Hydrochloric Acid. 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
CA2 known ✓ P00918 1/20 0.51
GAA known ✓ P10253 1/20 0.51
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HTT P42858 1/20 0.67
TGM2 P21980 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
MAPT P10636 1/20 0.56
SLC1A3 P43003 1/20 0.55
SLC1A1 P43005 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
KAT2B Q92831 1/20 0.51
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51

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
SCHEMBL5019074 0.98 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13055383 0.93 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL14985738 0.91 LMNA (0.63) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL14486856 0.91 HTT (0.64) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL15671941 0.91 HTT (0.64) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL21338348 0.91 LMNA (0.63) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13365569 0.90 LMNA (0.67) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL7364819 0.89 LMNA (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL11376465 0.89 HTT (0.70) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL2402780 0.88 HTT (0.74) LMNASMN1; SMN2HTTTGM2L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666623-B2 Tetramaleimide linkers and use thereof NEWBIO THERAPEUTICS, INC. (CN) 2023-06-06 US disclosed
CN-109232464-B Oxadiazole type linker and application thereof 上海新理念生物医药科技有限公司 2022-11-15 CN disclosed
CN-107652219-B Tetramaleimide-type linker and application thereof 上海新理念生物医药科技有限公司 2021-06-08 CN disclosed
US-20210128668-A1 TETRAMALEIMIDE LINKERS AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2021-05-06 US disclosed
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers NOVO NORDISK A/S (DK) 2009-02-05 US disclosed
EP-1853321-A2 INSULINOTROPIC AGENTS CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2007-11-14 EP disclosed
EP-1843790-A2 INSULIN DERIVATIVES CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2007-10-17 EP disclosed
WO-2006087354-A2 INSULINOTROPIC AGENTS CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2006-08-24 WO disclosed
WO-2006079641-A2 INSULIN DERIVATIVES CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS NOVO NORDISK A/S (DK) 2006-08-03 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 (3 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-20210128668-A1 TETRAMALEIMIDE LINKERS AND USE THEREOF MCTS1, CA14, TTL CA2 1710/4885GAA 344/4885LMNA 2753/4885
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers INSR, IAPP, IGF1R CA2 4818/4885GAA 879/4885LMNA 2718/4885
US-11666623-B2 Tetramaleimide linkers and use thereof MCTS1, CA14, TTL CA2 1710/4885GAA 344/4885LMNA 2753/4885

“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.