SCHEMBL18075253

SCHEMBL18075253

O=[N+]([O-])c1ccc(O)cc1NCC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPK1 P28482 4/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ HCAR3 P49019 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL18074993 0.90 HCAR3 (0.49) MAPTALDH1A1MAPK1HTTHCAR3
SCHEMBL28505091 0.87 MAPT (0.44) MAPTALDH1A1MAPK1NPSR1RXFP1
SCHEMBL19858206 0.85 MAPT (0.46) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL16035315 0.84 PTGER4 (0.45) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL17935301 0.81 MAPT (0.64) MAPTALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL26631556 0.81 MAPT (0.48) MAPTALDH1A1MAPK1RXFP1HTT
SCHEMBL20767574 0.81 KAT2B (0.49) MAPTALDH1A1MAPK1HCAR3KMT2A
SCHEMBL29722553 0.81 KAT2B (0.49) MAPTALDH1A1MAPK1HCAR3KMT2A
SCHEMBL17935468 0.78 PTGER4 (0.44) MAPTALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL30150839 0.78 KMT2A (0.57) MAPTALDH1A1MAPK1HTTHCAR3

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 2160/4885MAPK1 1513/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 MAPT 3681/4885ALDH1A1 2160/4885MAPK1 1513/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 MAPT 3681/4885ALDH1A1 2160/4885MAPK1 1513/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 MAPT 3681/4885ALDH1A1 2160/4885MAPK1 1513/4885

“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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