SCHEMBL18075181

SCHEMBL18075181

O=[N+]([O-])c1ccc(CO)cc1NCC1CCCOC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HCAR3 P49019 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19858188 0.94 MAPT (0.42) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL18075062 0.91 HCAR3 (0.48) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL19858206 0.87 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL28505091 0.86 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL18075301 0.85 HCAR3 (0.46) MAPTALDH1A1HTTHCAR3KMT2A
SCHEMBL18075569 0.84 PTGER4 (0.44) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL19857884 0.82 MAPT (0.61) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL19857882 0.82 MAPT (0.61) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL18074977 0.79 HCAR3 (0.43) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL19858087 0.79 HCAR3 (0.60) MAPTALDH1A1CYP1A2CYP2C19HTT

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 MAPT 3681/4885ALDH1A1 2160/4885CYP1A2 3263/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 MAPT 3681/4885ALDH1A1 2160/4885CYP1A2 3263/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 MAPT 3681/4885ALDH1A1 2160/4885CYP1A2 3263/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 MAPT 3681/4885ALDH1A1 2160/4885CYP1A2 3263/4885

“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.

Send feedback