SCHEMBL3000243

SCHEMBL3000243

COc1ccc(C#N)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
AR P10275 13/20 0.47
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL10540003 0.88 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL9522127 0.88 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL12957782 0.83 ALDH1A1 (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL998403 0.82 ALDH1A1 (0.59) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL15334800 0.82 ALDH1A1 (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL27405526 0.82 ALDH1A1 (0.59) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL4119375 0.81 POLB (0.50) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL1585098 0.81 AR (0.52) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL4696500 0.78 ALDH1A1 (0.55) ALDH1A1IMPDH2IMPDH1KDM4EUSP2
SCHEMBL10492915 0.78 ALDH1A1 (0.39) ALDH1A1IMPDH2IMPDH1KDM4EUSP2

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-20100184771-A1 Bicyclic Heterocyclic Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-22 US disclosed
EP-1961754-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20100184771-A1 Bicyclic Heterocyclic Compound NR3C2, NR3C1, CRHR1 ALDH1A1 2365/4885IMPDH2 4062/4885IMPDH1 3780/4885

“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.