SCHEMBL16132349

SCHEMBL16132349

Cc1nnc2ccccc2c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.50
▸ CYP1A2 P05177 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.35

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
SCHEMBL13990742 0.76 LMNA (0.50) GPR3ALDH1A1HSD17B10HPGDNUDT1
SCHEMBL14289088 0.74 GPR3 (0.43) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL13222013 0.74 ATM (0.55) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL8404448 0.74 GPR3 (0.59) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL16132400 0.73 LCK (0.46) GPR3ALDH1A1ATMELANEKDM4E
Ammonia Solution, Strong SCHEMBL27764235 0.72 GPR3 (0.56) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL16132394 0.72 GPR3 (0.50) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL22124938 0.71 GPR3 (0.54) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL22124889 0.71 GPR3 (0.54) GPR3CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL19864878 0.71 GPR3 (0.54) GPR3CYP1A2ALDH1A1HSD17B10HPGD

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 2494/4885CYP1A2 3864/4885ALDH1A1 3927/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GPR3 2494/4885CYP1A2 3864/4885ALDH1A1 3927/4885

“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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