SCHEMBL12292703

SCHEMBL12292703

[C-]#[N+]c1ccc2[nH]c(C)cc2c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ KIF11 P52732 3/20 0.38
▸ KEAP1 Q14145 2/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL12293559 0.84 KDM4E (0.43) KIF11MEN1KMT2AKDM4E
SCHEMBL12294052 0.83 MEN1 (0.40) KIF11MEN1KMT2AKDM4EL3MBTL1
SCHEMBL12293378 0.82 MEN1 (0.34) KIF11MEN1KMT2AKDM4EAR
SCHEMBL12293437 0.80 GHSR (0.35) KIF11MEN1KMT2AALDH1A1KDM4E
SCHEMBL12294034 0.79 MEN1 (0.31) KIF11MEN1KMT2AAR
SCHEMBL12293495 0.79 PARP1 (0.34) KIF11MEN1KMT2AAR
SCHEMBL12293480 0.78 KDM4E (0.33) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL12293467 0.78 GHSR (0.41) MAPTMEN1KMT2ATP53HTT
SCHEMBL2428852 0.77 HPGD (0.44) MAPTKIF11KEAP1NFE2L2MEN1
SCHEMBL12293720 0.75 HPGD (0.45) MAPTKEAP1NFE2L2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 — — 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-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 (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 MAPT 2977/4885KIF11 4435/4885KEAP1 837/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA MAPT 2977/4885KIF11 4435/4885KEAP1 837/4885
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 MAPT 3790/4885KIF11 3073/4885KEAP1 3032/4885

“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.

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