SCHEMBL2430632

SCHEMBL2430632

N#Cc1ccc2[nH]c(C(F)F)cc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
DAO P14920 2/20 0.35
DYRK1A Q13627 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
AR P10275 8/20 0.33
PGR P06401 2/20 0.33
TRPV4 Q9HBA0 1/20 0.32
CLK1 P49759 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
BCAT1 P54687 1/20 0.31

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
SCHEMBL2429860 0.83 PGR (0.40) DYRK1AARPGRCLK1BCAT1
SCHEMBL12327555 0.81 BCAT1 (0.35) MAOAMAOBDYRK1AARPGR
SCHEMBL2430502 0.76 MAOA (0.47) MAOAMAOBDYRK1AHTR2AHTR2C
SCHEMBL2433037 0.75 KDM4E (0.42) MAOAMAOBARPGRBCAT1
SCHEMBL12292692 0.75 DAO (0.35) DAO
SCHEMBL3422279 0.71 DAO (0.61) MAOAMAOBDAO
SCHEMBL2428041 0.70 AR (0.38) MAOAMAOBDAOHTR2AHTR2C
SCHEMBL2429017 0.70 MEN1 (0.43) MAOAMAOBDAODYRK1AAR
SCHEMBL2461967 0.66 IMPDH2 (0.43) MAOAMAOBDYRK1AHTR2AHTR2C
SCHEMBL31020841 0.66 CYP19A1 (0.51) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US claimed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 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-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
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
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 (3 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 MAOA 2725/4885MAOB 2473/4885DAO 3684/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA MAOA 2725/4885MAOB 2473/4885DAO 3684/4885
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 MAOA 4114/4885MAOB 4226/4885DAO 3565/4885

“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.