SCHEMBL13744882

SCHEMBL13744882

N#Cc1ccc2c(c1C(F)(F)F)CC(CC(F)(F)F)N2Cc1noc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
AR P10275 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CTSS P25774 3/20 0.35
ADORA2B P29275 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.34
CTSK P43235 4/20 0.33
KCNH2 Q12809 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL13744925 0.93 AR (0.37) ARPPARGPPARDPPARA
SCHEMBL12327568 0.89 AR (0.38) L3MBTL1MAPTARMAPK1RAB9A
SCHEMBL2438639 0.88 AR (0.42) L3MBTL1MAPTARMAPK1RAB9A
SCHEMBL12327803 0.88 L3MBTL1 (0.40) L3MBTL1MAPTARMAPK1RAB9A
SCHEMBL13744938 0.87 AR (0.37) ARKCNH2
SCHEMBL13745461 0.87 AR (0.40) L3MBTL1MAPTARMAPK1RAB9A
SCHEMBL12327123 0.83 AR (0.37) ARCTSSADORA2BADORA3PPARG
SCHEMBL2434387 0.80 AR (0.42) L3MBTL1MAPTARMAPK1RAB9A
SCHEMBL2427383 0.80 AR (0.41) ARPPARGPPARDPPARAGAA
SCHEMBL13744857 0.80 AR (0.38) MAPTARRAB9ANPC1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 L3MBTL1 1539/4885MAPT 3790/4885AR 1/4885

“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.