SCHEMBL2148589

SCHEMBL2148589

C=CCC(O)(c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.48
CACNA1H O95180 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL1636643 0.84 AR (0.56) ARCACNA1HKDM4EPOLBMAPT
SCHEMBL12724600 0.80 AR (0.42) ARCACNA1HKDM4EPOLBMAPT
SCHEMBL1636632 0.77 AR (0.66) ARCACNA1HKDM4EPOLBMAPT
SCHEMBL1636551 0.76 AR (0.44) ARKDM4EPOLBMAPTHPGD
SCHEMBL12395252 0.71 AR (0.44) ARKDM4EPOLBMAPTHPGD
SCHEMBL20096687 0.70 CACNA1H (0.41) ARCACNA1H
SCHEMBL20096569 0.70 CACNA1H (0.41) ARCACNA1H
SCHEMBL29935405 0.69 KDM4E (0.54) ARKDM4EPOLBMAPTHPGD
SCHEMBL1635558 0.68 HDAC3 (0.42) AR
Lithium Ion SCHEMBL29942256 0.68 KDM4E (0.53) ARKDM4EPOLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120830-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-09-01 US disclosed
US-9120830-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-09-01 US disclosed
US-20140309261-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-10-16 US disclosed
US-20140309261-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-10-16 US disclosed
US-8802865-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-08-12 US disclosed
US-8802865-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-08-12 US disclosed
US-20140031317-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-01-30 US disclosed
US-20140031317-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-01-30 US disclosed
US-8575206-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-05 US disclosed
US-8575206-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-05 US disclosed
EP-1984343-B1 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-1984343-B1 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
US-20110166102-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ALFORD JR VERNON C 2011-07-07 US disclosed
US-20110166102-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ALFORD JR VERNON C 2011-07-07 US disclosed
US-7932399-B2 2-substituted benzimidazoles as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US disclosed
EP-1984343-A2 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) Janssen Pharmaceutica, N.V. (BE) 2008-10-29 EP disclosed
US-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-06 US disclosed
WO-2007087518-A2 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-02 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 (4 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-20140031317-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885CACNA1H 4193/4885KDM4E 819/4885
US-20110166102-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885CACNA1H 4193/4885KDM4E 819/4885
US-20070208014-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885CACNA1H 4193/4885KDM4E 819/4885
US-20140309261-A1 NOVEL 2-SUBSTITUTED BENZIMIDAZOLES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885CACNA1H 4193/4885KDM4E 819/4885

“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.