SCHEMBL6536602

SCHEMBL6536602

CCNc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.62
LMNA P02545 1/20 0.56
KAT2B Q92831 1/20 0.53
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL5103407 0.88 HCAR3 (0.64) HCAR3KAT2BMAPTALDH1A1TDP1
SCHEMBL1886423 0.84 ALDH1A1 (0.62) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL9458424 0.84 HCAR3 (0.58) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL9663414 0.82 ALDH1A1 (0.59) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL28448306 0.82 HCAR3 (0.56) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL18327527 0.82 HCAR3 (0.56) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL18075096 0.81 ALDH1A1 (0.67) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL18075204 0.81 HCAR3 (0.67) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL10582049 0.81 LMNA (0.70) HCAR3LMNAKAT2BMAPTALDH1A1
SCHEMBL10891363 0.81 HCAR3 (0.66) HCAR3LMNAKAT2BMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217416-A Preparation method of benzimidazole drug intermediate 3-nitro-4-ethylamino benzyl alcohol 黄淮学院 2023-06-06 CN claimed
CN-116217416-A Preparation method of benzimidazole drug intermediate 3-nitro-4-ethylamino benzyl alcohol 黄淮学院 2023-06-06 CN disclosed
CN-116217416-A Preparation method of benzimidazole drug intermediate 3-nitro-4-ethylamino benzyl alcohol 黄淮学院 2023-06-06 CN disclosed
CN-116217416-A Preparation method of benzimidazole drug intermediate 3-nitro-4-ethylamino benzyl alcohol 黄淮学院 2023-06-06 CN disclosed
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
EP-1442028-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD Bristol-Myers Squibb Company (US) 2004-08-04 EP disclosed
US-6673815-B2 MODULATE BLOOD GLUCOSE LEVELS, TRIGLYCERIDE LEVELS, INSULIN LEVELS AND NON-ESTERIFIED FATTY ACID LEVELS BRISTOL-MYERS SQUIBB COMPANY 2004-01-06 US disclosed
US-20030130306-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2003-07-10 US disclosed
WO-2003040114-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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 (5 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 982/4885LMNA 4374/4885KAT2B 25/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885LMNA 4374/4885KAT2B 25/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885LMNA 4374/4885KAT2B 25/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 HCAR3 982/4885LMNA 4374/4885KAT2B 25/4885
US-20030130306-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, GCGR HCAR3 449/4885LMNA 547/4885KAT2B 1373/4885

“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.