SCHEMBL18080461

SCHEMBL18080461

CC(C)c1cc2cc(F)c(F)[nH]c-2nc1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
EIF4A3 P38919 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL18080459 0.86 TRPV1 (0.34) TRPV1EIF4A3CYP1A2CYP2C19TNKS
SCHEMBL18080471 0.86 TRPV1 (0.37) TRPV1EIF4A3KDM5BCYP1A2CYP2C19
SCHEMBL18080479 0.82 PDE2A (0.33) TRPV1EIF4A3CYP1A2CYP2C19
SCHEMBL18080497 0.81 RPS6KA3 (0.31) TRPV1EIF4A3RPS6KA3
SCHEMBL18081931 0.79 TNKS2 (0.34) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL18080455 0.78 CYP1A2 (0.38) TRPV1EIF4A3KDM5BCYP1A2CYP2C19
SCHEMBL18080467 0.76 SMPD3 (0.33) TRPV1
SCHEMBL16631411 0.76 TNKS (0.36) CYP1A2TNKSPARP1TNKS2PARP2
SCHEMBL18080452 0.75 KDM5B (0.32) KDM5BCYP1A2CYP2C19
SCHEMBL18080463 0.75 EIF4A3 (0.33) TRPV1EIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 TRPV1 3709/4885EIF4A3 1031/4885KDM5B 4608/4885

“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.