SCHEMBL16132394

SCHEMBL16132394

Cc1nc2ccccc2c(C(C)(C)C)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.50
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NUDT1 P36639 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MPO P05164 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ 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
SCHEMBL10518195 0.79 MAOA (0.64) GPR3MAOAMAOBALDH1A1HSD17B10
SCHEMBL13222013 0.78 ATM (0.55) GPR3MAOAMAOBALDH1A1HSD17B10
SCHEMBL6767106 0.77 GPR3 (0.57) GPR3MAOAMAOBALDH1A1HSD17B10
SCHEMBL16132377 0.76 GPR3 (0.47) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL27810585 0.74 GPR3 (0.53) GPR3MAOAMAOBALDH1A1HSD17B10
SCHEMBL2125436 0.73 MAOA (0.61) GPR3MAOAMAOBALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL27928855 0.72 MAOA (0.59) GPR3MAOAMAOBALDH1A1HSD17B10
SCHEMBL10157171 0.72 MAOA (0.59) GPR3MAOAMAOBALDH1A1HSD17B10
SCHEMBL16132349 0.72 GPR3 (0.50) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL28920770 0.72 ATM (0.44) GPR3MAOAMAOBALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255089-B2 Benzimidazolone derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-02-09 — — US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 — — US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 — — US 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 (2 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GPR3 2494/4885MAOA 3212/4885MAOB 1756/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GPR3 2494/4885MAOA 3212/4885MAOB 1756/4885

“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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