SCHEMBL16132467

SCHEMBL16132467

Cc1ccc2c(c1C)CCC(=O)N2CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.37
TSHR P16473 1/20 0.35
NR1I2 O75469 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
RXRA P19793 2/20 0.31
POLB P06746 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL17487249 0.76 TSHR (0.35) BRD4TSHRTP53HPGDATAD2
SCHEMBL31528092 0.75 NR1I2 (0.34) NR1I2ADORA3OPRM1OPRK1MAPT
SCHEMBL16132463 0.73 BRD4 (0.44) BRD4TP53HPGD
SCHEMBL1936533 0.71 CHRM2 (0.34) NR1I2ADORA3OPRM1OPRK1
SCHEMBL6605904 0.68 SRD5A1 (0.45) TP53MAPTATAD2
SCHEMBL17979389 0.66 ATAD2 (0.43) NR1I2ADORA3OPRM1OPRK1MAPT
SCHEMBL17979385 0.66 ATAD2 (0.46) NR1I2ADORA3OPRM1OPRK1TP53
SCHEMBL31528034 0.65 RXRA (0.35) NR1I2ADORA3OPRM1OPRK1RXRA
Hydrochloric Acid SCHEMBL17979538 0.65 ATAD2 (0.45) NR1I2ADORA3OPRM1OPRK1TP53
SCHEMBL16132461 0.65 CYP11B2 (0.40) BRD4TP53HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRD4 1/4885TSHR 2414/4885NR1I2 512/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BRD4 1/4885TSHR 2414/4885NR1I2 512/4885

“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.