SCHEMBL13678558

SCHEMBL13678558

Cc1cc(OCc2ccccc2CN2C(=O)c3ccccc3C2=O)c(I)c(=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
CASP3 P42574 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL4520277 0.90 ALDH1A1 (0.45) MAPK14ALDH1A1KDM4EHPGDMAPK1
SCHEMBL13678560 0.89 CASP3 (0.44) MAPK14ALDH1A1KDM4EHPGDRECQL
SCHEMBL13678554 0.88 MAPK14 (0.46) MAPK14ALDH1A1KDM4EHPGDRECQL
SCHEMBL4510559 0.88 PDE1A (0.41) MAPK14ALDH1A1KDM4ERECQLCASP3
SCHEMBL4499561 0.88 GAA (0.49) MAPK14KDM4ERECQLKMT2ARXFP1
SCHEMBL4506364 0.86 MAPK14 (0.40) MAPK14ALDH1A1KDM4EHPGDRECQL
SCHEMBL4511553 0.84 MAPK14 (0.41) MAPK14ALDH1A1KDM4ERECQLKMT2A
SCHEMBL4519474 0.81 MAPK14 (0.51) MAPK14KDM4ERECQL
SCHEMBL4522993 0.80 CASP3 (0.49) MAPK14KDM4ECASP3KMT2A
SCHEMBL4501869 0.80 ALDH1A1 (0.45) MAPK14ALDH1A1KDM4EHPGDCASP3

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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 MAPK14 117/4885ALDH1A1 1197/4885KDM4E 1348/4885

“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.