SCHEMBL2431374

SCHEMBL2431374

CCCc1cc2c(C(F)(F)F)c(C#N)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.46
PGR P06401 6/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GHSR Q92847 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2431232 0.92 GHSR (0.42) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2427516 0.90 AR (0.42) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2428161 0.86 AR (0.40) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2429708 0.84 AR (0.38) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2431537 0.84 AR (0.44) ARPGRMEN1KMT2AL3MBTL1
SCHEMBL2430381 0.81 MEN1 (0.43) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2431081 0.80 AR (0.44) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2429017 0.80 MEN1 (0.43) ARALDH1A1HPGDKDM4EGLA
SCHEMBL2431816 0.80 AR (0.43) ARPGRALDH1A1HPGDKDM4E
SCHEMBL2433397 0.78 KDM4E (0.43) ARPGRKDM4EMEN1KMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299457-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-04-12 US disclosed
US-20200270210-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED 2020-08-27 US disclosed
US-10710963-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-07-14 US disclosed
CN-104619693-B The alternatively indoles nitrile of property androgen receptor modifier 葛兰素史克知识产权第二有限公司 2019-08-13 CN disclosed
US-20190127326-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-05-02 US disclosed
US-10196353-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2019-02-05 US disclosed
US-20170073309-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-16 US disclosed
US-9533948-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-03 US disclosed
EP-2875013-A1 INDOLECARBONITRILES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2015-05-27 EP disclosed
US-20150080449-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-03-19 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
EP-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 WO disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 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 (9 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-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-20200270210-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-10710963-B2 Chemical compounds AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-11299457-B2 Chemical compounds AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-20150080449-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-10196353-B2 Chemical compounds AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 AR 1/4885PGR 48/4885ALDH1A1 3006/4885
US-20190127326-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885
US-20170073309-A1 Chemical Compounds AR, NR5A1, ESRRA AR 1/4885PGR 49/4885ALDH1A1 671/4885

“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.