SCHEMBL978331

SCHEMBL978331

COc1ccc(NC(=O)O)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
NPC1 O15118 2/20 0.49
GFER P55789 1/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALDH1A1 P00352 4/20 0.49
F10 P00742 1/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL4442716 0.86 HSD17B1 (0.56) GAANPC1HDAC2HDAC3HDAC4
SCHEMBL16238975 0.85 GAA (0.55) GAANPC1GFERALDH1A1MAPT
SCHEMBL7557552 0.83 CYP1A2 (0.56) GAANPC1HDAC2HDAC3HDAC1
SCHEMBL2095013 0.83 RAB9A (0.58) GAANPC1ALDH1A1F10MAPT
SCHEMBL6117229 0.82 RAB9A (0.61) GAANPC1ALDH1A1F10MAPT
SCHEMBL7594786 0.82 HDAC3 (0.61) NPC1HDAC2HDAC3HDAC4HDAC1
SCHEMBL5833241 0.81 ALDH1A1 (0.73) GAANPC1ALDH1A1MAPTMEN1
SCHEMBL17796966 0.81 POLB (0.62) GAANPC1ALDH1A1F10MAPT
SCHEMBL246277 0.80 AAK1 (0.46) GAANPC1GFERHDAC2HDAC3
SCHEMBL21931143 0.80 KMT2A (0.55) HDAC2HDAC3HDAC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150300-A1 S-CONFIGURATION-CONTAINING AMINO BENZAMIDE PYRIDAZINONE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-05-09 US disclosed
EP-4296266-A1 S-CONFIGURATION-CONTAINING AMINO BENZAMIDE PYRIDAZINONE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-12-27 EP disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 US disclosed
WO-2019036024-A1 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed
WO-2015104343-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2015-07-16 WO disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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-20240150300-A1 S-CONFIGURATION-CONTAINING AMINO BENZAMIDE PYRIDAZINONE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF HDAC11, HDAC1, HDAC10 GAA 2249/4885NPC1 3714/4885GFER 3311/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 GAA 1551/4885NPC1 2881/4885GFER 4035/4885
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES APLNR, AP3B1, AP2B1 GAA 4290/4885NPC1 1618/4885GFER 3988/4885

“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.