SCHEMBL15319981

SCHEMBL15319981

CC(C)(F)c1cc(N)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
AR P10275 15/20 0.46
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PGR P06401 1/20 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
SCHEMBL29396844 0.85 AR (0.56) ARGLAPOLBGAATSHR
SCHEMBL110567 0.85 AR (0.56) ARGLAPOLBGAATSHR
SCHEMBL1772784 0.85 KDM4E (0.52) KDM4EUSP2ALDH1A1ARGLA
SCHEMBL15320326 0.81 AR (0.45) KDM4EUSP2ALDH1A1ARGLA
SCHEMBL22401219 0.81 KDM4E (0.49) KDM4EUSP2ALDH1A1AR
SCHEMBL15319977 0.81 AR (0.45) KDM4EUSP2ALDH1A1ARGLA
Hydrochloric Acid SCHEMBL28405816 0.80 KDM4E (0.47) KDM4EUSP2ALDH1A1AR
SCHEMBL15320186 0.76 AR (0.41) KDM4EUSP2ALDH1A1ARGLA
SCHEMBL397540 0.73 KDM4E (0.52) KDM4EUSP2ALDH1A1ARGLA
SCHEMBL30279017 0.73 KDM4E (0.52) KDM4EUSP2ALDH1A1ARGLA

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-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2015-02-26 US disclosed
EP-2834216-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS Catylix Inc. (US) 2015-02-11 EP disclosed
WO-2013152170-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2013-10-10 WO 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-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 KDM4E 551/4885USP2 1901/4885ALDH1A1 1680/4885

“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.