SCHEMBL16111018

SCHEMBL16111018

Cc1c(C(F)F)nc2ccccc2c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL31313485 0.79 GPR3 (0.48) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL20855328 0.79 GPR3 (0.48) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL11985944 0.77 GPR3 (0.57) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL18799902 0.77 GPR3 (0.47) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL13445183 0.71 KDM4E (0.56) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL14993411 0.71 CYP1A2 (0.45) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL20594119 0.68 HSD17B10 (0.48) CYP1A2ALDH1A1HPGDHSD17B10NUDT1
SCHEMBL21297882 0.67 GPR3 (0.48) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL31678400 0.67 GPR3 (0.58) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL50940 0.67 GPR3 (0.58) GPR3CYP1A2ALDH1A1HPGDHSD17B10

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
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 — — EP disclosed
US-9255089-B2 Benzimidazolone derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-02-09 — — US disclosed
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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 — — 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
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

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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