SCHEMBL17490348

SCHEMBL17490348

CC(O)(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP1A2 P05177 1/20 0.42
MGAM O43451 1/20 0.42
SSTR4 P31391 1/20 0.41
NCF1 P14598 3/20 0.40
CASR P41180 2/20 0.40
CNR2 P34972 2/20 0.39
MAPT P10636 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL16132428 0.83 AHR (0.44) AHRCYP3A4TSHRCYP2C19CYP1A2
SCHEMBL17490340 0.82 MDM4 (0.40) AHRCYP3A4TSHRCYP2C19CYP1A2
SCHEMBL28783629 0.81 CYP1A2 (0.45) AHRCYP3A4CYP1A2MGAMSSTR4
SCHEMBL29078300 0.81 CYP1A2 (0.48) AHRCYP2C19CYP1A2MGAMSSTR4
SCHEMBL30824515 0.81 CYP1A2 (0.48) AHRCYP2C19CYP1A2MGAMSSTR4
SCHEMBL16132527 0.79 AHR (0.44) AHRCYP3A4CYP2C19CYP1A2MGAM
SCHEMBL16140171 0.79 AHR (0.43) AHRCYP1A2MGAMNCF1CASR
SCHEMBL4372873 0.79 NCF1 (0.42) AHRCYP3A4CYP1A2MGAMSSTR4
SCHEMBL16132516 0.78 AHR (0.59) AHRCYP3A4TSHRCYP2C19CYP1A2
SCHEMBL28919631 0.77 NCF1 (0.43) AHRCYP3A4CYP2C19CYP1A2MGAM

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
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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 (1 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 AHR 2474/4885CYP3A4 3554/4885TSHR 2414/4885

“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.