SCHEMBL15074663

SCHEMBL15074663

CNC(=O)Nc1noc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.39
ROCK1 Q13464 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.35
FAAH O00519 4/20 0.35
MLYCD O95822 3/20 0.35
IDO1 P14902 2/20 0.34
POLB P06746 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
SCHEMBL17736703 0.83 ALDH1A1 (0.39) ALDH1A1EPHX2SMN1; SMN2KDM4ERECQL
SCHEMBL4397210 0.82 KDM4E (0.41) ALDH1A1EPHX2ROCK1KDM4ETDP1
SCHEMBL19026668 0.80 MLYCD (0.39) ALDH1A1EPHX2ROCK1SMN1; SMN2KDM4E
SCHEMBL13664090 0.80 FGFR1 (0.38) ALDH1A1EPHX2ROCK1SMN1; SMN2KDM4E
SCHEMBL12199026 0.73 BRD4 (0.41) ALDH1A1SMN1; SMN2KDM4ERECQL
SCHEMBL10289304 0.73 ALDH1A1 (0.37) ALDH1A1EPHX2SMN1; SMN2KDM4ERECQL
SCHEMBL4657505 0.73 KMT2A (0.41) ALDH1A1SMN1; SMN2KDM4ERECQLPOLB
SCHEMBL17324778 0.72
SCHEMBL3175510 0.72 CA1 (0.36) ROCK1FAAH
SCHEMBL10605862 0.71 CYP1A2 (0.53) ALDH1A1SMN1; SMN2TDP1RECQLIDO1

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
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885EPHX2 2630/4885ROCK1 108/4885

“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.