SCHEMBL9458424

SCHEMBL9458424

CNc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.58
HTT P42858 2/20 0.55
MAPT P10636 6/20 0.50
ALDH1A1 P00352 2/20 0.50
CDC25B P30305 1/20 0.49
KAT2B Q92831 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 2/20 0.44
TTR P02766 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL22456033 0.85 KAT2B (0.61) HCAR3HTTMAPTALDH1A1CDC25B
SCHEMBL6536602 0.84 HCAR3 (0.62) HCAR3HTTMAPTALDH1A1KAT2B
SCHEMBL9458121 0.83 HCAR3 (0.54) HCAR3HTTMAPTALDH1A1CDC25B
SCHEMBL11539572 0.83 MAPT (0.61) HTTMAPTALDH1A1TDP1MAPK1
SCHEMBL19858249 0.83 HCAR3 (0.61) HCAR3MAPTALDH1A1MAPK1
SCHEMBL5103407 0.81 HCAR3 (0.64) HCAR3MAPTALDH1A1KAT2BTDP1
SCHEMBL1886423 0.81 ALDH1A1 (0.62) HCAR3MAPTALDH1A1KAT2BTDP1
SCHEMBL22115089 0.80 HCAR3 (0.55) HCAR3HTTMAPTALDH1A1CDC25B
SCHEMBL18074957 0.80 HCAR3 (0.54) HCAR3MAPTALDH1A1KAT2BKMT2A
SCHEMBL18074958 0.80 HCAR3 (0.54) HCAR3MAPTALDH1A1KAT2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
CN-107635989-B Benzimidazole derivatives as bromodomain inhibitors 葛兰素史克知识产权开发有限公司 2020-12-08 CN disclosed
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-06 US disclosed
US-10442786-B2 Benzimidazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-15 US disclosed
EP-3549939-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-09 EP disclosed
EP-3271349-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-05-15 EP disclosed
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-15 US disclosed
EP-3271349-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-01-24 EP disclosed
WO-2016146738-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-22 WO disclosed
US-5258370-A Artificial redox enzymes CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1993-11-02 US disclosed
WO-1992017508-A1 ARTIFICIAL REDOX ENZYMES UNIVERSITY OF MISSOURI (US) 1992-10-15 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-10442786-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 HCAR3 982/4885HTT 3791/4885MAPT 3681/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885HTT 3791/4885MAPT 3681/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885HTT 3791/4885MAPT 3681/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 HCAR3 982/4885HTT 3791/4885MAPT 3681/4885

“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.