SCHEMBL16110414

SCHEMBL16110414

Cn1ncc(-c2ccccc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
CREBBP Q92793 1/20 0.45
PTGS2 P35354 1/20 0.44
HIF1A Q16665 1/20 0.42
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
LPAR1 Q92633 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGIR P43119 2/20 0.39
CYP11B2 P19099 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDR P35968 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 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
SCHEMBL10508644 0.79 HIF1A (0.53) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL12175373 0.78 CREBBP (0.62) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL15158515 0.77 CYP11B2 (0.46) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL26692275 0.76 CREBBP (0.45) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL25731648 0.76 CREBBP (0.45) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL23400268 0.76 CREBBP (0.45) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL13737154 0.76 NPC1 (0.59) RAB9ANPC1CREBBPPTGS2ALDH1A1
SCHEMBL5966750 0.76 CREBBP (0.45) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL25731618 0.73 CYP11B2 (0.47) RAB9ANPC1CREBBPPTGS2HIF1A
SCHEMBL3562130 0.72 HTR2A (0.47) RAB9ANPC1CREBBPHIF1AALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994469-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2018-12-19 EP disclosed
US-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2018-10-04 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
EP-2978759-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS Gilead Sciences, Inc. (US) 2016-02-03 EP disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 WO disclosed
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 WO disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
WO-2014160873-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 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-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 RAB9A 2397/4885NPC1 3050/4885CREBBP 31/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 RAB9A 2397/4885NPC1 3050/4885CREBBP 31/4885
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 RAB9A 2397/4885NPC1 3050/4885CREBBP 31/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 RAB9A 2463/4885NPC1 3030/4885CREBBP 31/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 RAB9A 2516/4885NPC1 3377/4885CREBBP 23/4885

“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.