SCHEMBL10114717

SCHEMBL10114717

Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.67
KMT2A Q03164 1/20 0.65
RXFP1 Q9HBX9 6/20 0.64
TP53 P04637 3/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.61
THRB P10828 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 1/20 0.59
TRPA1 O75762 1/20 0.58

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
SCHEMBL12584273 0.93 CYP1A2 (0.70) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL10114668 0.90 CYP1A2 (0.78) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL10114228 0.89 POLB (0.81) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL10114518 0.89 POLB (0.66) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL10114070 0.88 CYP1A2 (0.69) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL10114064 0.88 POLB (0.83) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL12584350 0.87 CYP1A2 (0.78) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL10114119 0.85 POLB (0.70) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL14754442 0.85 CYP1A2 (0.66) CYP1A2POLBKMT2ARXFP1TP53
SCHEMBL12584274 0.84 CYP1A2 (0.74) CYP1A2POLBKMT2ARXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 CYP1A2 3278/4885POLB 4824/4885KMT2A 2230/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885POLB 1998/4885KMT2A 3581/4885

“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.