SCHEMBL979836

SCHEMBL979836

FC(F)(F)c1[c]cccc1-c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
HSD11B1 P28845 1/20 0.30
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30
NSD2 O96028 1/20 0.30
BCHE P06276 1/20 0.30
DAO P14920 1/20 0.30
CES1 P23141 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL3583635 0.84 CYP2A6 (0.38) PDK2ALDH1A1SMN1; SMN2KDM4EHSD11B1
SCHEMBL15638416 0.83 GPBAR1 (0.36) PDK2
SCHEMBL225527 0.81 TSHR (0.33)
SCHEMBL2053031 0.80 PDK2 (0.38) PDK2
SCHEMBL17144532 0.79 HSD11B1 (0.33) HSD11B1
SCHEMBL15636512 0.76 GPBAR1 (0.39) PDK2NSD2CES1
SCHEMBL4247846 0.76 FABP4 (0.36)
SCHEMBL10476025 0.75 KLRK1 (0.36) PDK2ALDH1A1KDM4E
SCHEMBL15635850 0.75 CYP2A6 (0.33) PDK2NSD2BCHEDAOCES1
SCHEMBL15637459 0.75 HSD11B1 (0.42) PDK2ALDH1A1SMN1; SMN2KDM4EHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434688-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
EP-2078712-B1 Indole derivatives as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2015-06-10 EP disclosed
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-09-04 US disclosed
US-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 US disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed
US-8394971-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1771413-B1 BENZOFURAN DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-09-21 EP disclosed
US-20110021785-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTER JAMES C 2011-01-27 US disclosed
US-20100144823-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTAR JAMES C 2010-06-10 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
EP-1771413-A2 INDOLE, BENZOFURAN AND BENZOTHIPHENE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-11 EP disclosed
EP-1756109-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-28 EP disclosed
EP-1753749-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-21 EP disclosed
WO-2005110985-A2 INDOLE, BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111042-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111028-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050250741-A1 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-03 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 (6 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-20050250741-A1 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive AR, NR5A1, FSHR PDK2 2109/4885ALDH1A1 1696/4885SMN1; SMN2 4698/4885
US-20100144823-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 PDK2 1967/4885ALDH1A1 1333/4885SMN1; SMN2 4492/4885
US-20110021785-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 PDK2 1967/4885ALDH1A1 1333/4885SMN1; SMN2 4492/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 PDK2 1967/4885ALDH1A1 1333/4885SMN1; SMN2 4492/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 PDK2 1967/4885ALDH1A1 1333/4885SMN1; SMN2 4492/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 PDK2 2027/4885ALDH1A1 1274/4885SMN1; SMN2 4451/4885

“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.