SCHEMBL1816348

SCHEMBL1816348

N#Cc1cc([N+](=O)[O-])cnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.56
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
GLA P06280 2/20 0.49
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
XDH P47989 1/20 0.45
LMNA P02545 1/20 0.42
GRM6 O15303 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
RECQL P46063 1/20 0.38
AHR P35869 1/20 0.38
PIN1 Q13526 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL30618307 1.00 VCAM1 (0.56) VCAM1GAAHTTGLAALDH1A1
SCHEMBL28160052 0.84 HTT (0.41) VCAM1GAAHTTGLAALDH1A1
SCHEMBL23167971 0.84 ALDH1A1 (0.55) VCAM1GAAHTTGLAALDH1A1
SCHEMBL17591624 0.82 NPSR1 (0.45) VCAM1GAAHTTGLAALDH1A1
SCHEMBL1816358 0.79 GAA (0.57) VCAM1GAAHTTGLAALDH1A1
SCHEMBL28546650 0.79 GAA (0.54) VCAM1GAAHTTGLAALDH1A1
SCHEMBL28260409 0.78 HTT (0.40) VCAM1GAAHTTGLAALDH1A1
SCHEMBL6644398 0.76 VCAM1 (0.45) VCAM1GAAHTTGLAALDH1A1
SCHEMBL1303060 0.76 VCAM1 (0.47) VCAM1GAAHTTGLAALDH1A1
SCHEMBL364459 0.76 ALDH1A1 (0.54) GAAHTTALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433121-B Synthetic method of aliphatic diamine monomer for preparing transparent polyimide 东南大学 2023-11-28 CN claimed
CN-115433121-A Synthetic method of aliphatic diamine monomer for preparing transparent polyimide 东南大学 2022-12-06 CN claimed
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-03-26 US disclosed
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2025-12-30 US disclosed
WO-2025133915-A1 COMPOUNDS WHICH BIND TO PNPLA3I148M AND THEIR USE TO TREAT LIVER DISEASES NOVARTIS AG (CH) 2025-06-26 WO disclosed
CN-115650909-B Synthesis method of 3-amino isonicotinic nitrile 山西永津集团有限公司 2024-09-20 CN disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
US-20240285641-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2024-08-29 US disclosed
CN-111936487-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-09 CN disclosed
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 EP disclosed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
WO-2009000832-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-31 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2002081491-A2 NEW GENISTEIN DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM INSTYTUT FARMACEUTYCZNY (PL) 2002-10-17 WO disclosed
US-4558134-A PICORNAVIRUS THE DOW CHEMICAL COMPANY (US) 1985-12-10 US 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 (6 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-20240285641-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY IDO1, TDO2, IDO2 VCAM1 3625/4885GAA 2320/4885HTT 3100/4885
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy IDO1, IDO2, TDO2 VCAM1 3798/4885GAA 3436/4885HTT 2237/4885
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT VCAM1 2968/4885GAA 200/4885HTT 4031/4885
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL3 VCAM1 285/4885GAA 4403/4885HTT 3473/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 VCAM1 2140/4885GAA 254/4885HTT 2591/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B VCAM1 205/4885GAA 4303/4885HTT 2834/4885

“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.