SCHEMBL3556935

SCHEMBL3556935

Cc1ccc(CC#N)nc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CFTR P13569 3/20 0.34
POLB P06746 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
SCN9A Q15858 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL2080081 0.87 GAA (0.38) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436530 0.81 CYP1A2 (0.38) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL13999825 0.81 CYP1A2 (0.43) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436520 0.79 CYP1A2 (0.46) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436713 0.78 ALDH1A1 (0.40) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436508 0.77 NNMT (0.43) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3556808 0.75 AOC3 (0.41) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3556537 0.75 ALDH1A1 (0.44) KDM4EALDH1A1HSP90AA1HSP90AB1MEN1
SCHEMBL3436405 0.72 TRPV1 (0.50) CFTRPOLBMEN1KMT2A
SCHEMBL13999570 0.70 ALDH1A1 (0.38) CYP1A2CYP3A4GAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CYP1A2 1955/4885CYP3A4 1991/4885GAA 3904/4885

“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.