SCHEMBL18075062

SCHEMBL18075062

O=[N+]([O-])c1cc(CO)ccc1NCC1CCCOC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ MAPT P10636 10/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL18075301 0.94 HCAR3 (0.46) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL18075181 0.91 MAPT (0.42) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL18074977 0.88 HCAR3 (0.43) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL18075365 0.87 HCAR3 (0.47) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL19858188 0.85 MAPT (0.42) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL1873077 0.84 KMT2A (0.47) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL19858132 0.82 HCAR3 (0.71) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL19858130 0.82 HCAR3 (0.71) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL20968922 0.82 HCAR3 (0.71) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL28506857 0.82 HCAR3 (0.50) HCAR3KMT2AMEN1MAPTALDH1A1

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-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

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 982/4885KMT2A 310/4885MEN1 1852/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885KMT2A 310/4885MEN1 1852/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885KMT2A 310/4885MEN1 1852/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 HCAR3 982/4885KMT2A 310/4885MEN1 1852/4885

“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.

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