SCHEMBL18074977

SCHEMBL18074977

O=[N+]([O-])c1cc(CO)ccc1NCC1COC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 11/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 3/20 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 0.91 HCAR3 (0.46) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL18075365 0.89 HCAR3 (0.47) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL18075062 0.88 HCAR3 (0.48) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL19858272 0.82 HCAR3 (0.52) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL16235814 0.82 ALDH1A1 (0.53) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL19858188 0.81 MAPT (0.42) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL18075181 0.79 MAPT (0.42) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL18075111 0.79 LMNA (0.46) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL16038582 0.79 MAPT (0.63) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL19858206 0.79 MAPT (0.46) HCAR3KMT2AMAPTALDH1A1SMN1; SMN2

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 310/4885MAPT 3681/4885
US-20200039953-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885KMT2A 310/4885MAPT 3681/4885
US-20180044317-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD1, BRPF3 HCAR3 982/4885KMT2A 310/4885MAPT 3681/4885
US-11053212-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD1, BRPF3 HCAR3 982/4885KMT2A 310/4885MAPT 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.

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