SCHEMBL12293284

SCHEMBL12293284

[C-]#[N+]c1ccc2c(cc(C)n2CC(=O)NCC)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.39
PGR P06401 2/20 0.37
AR P10275 2/20 0.37
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.34
MARK4 Q96L34 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL12293272 0.86 PTGDR2 (0.40) LMNASMN1; SMN2KDM4E
SCHEMBL12293320 0.85 HSD17B10 (0.40) LMNASMN1; SMN2PGRARHPGD
SCHEMBL12293232 0.85 AR (0.34) LMNASMN1; SMN2HTTPGRAR
SCHEMBL12293999 0.84 GRIN1 (0.33) LMNAPGRARHPGDALDH1A1
SCHEMBL2434323 0.81 AR (0.57) LMNASMN1; SMN2HTTPGRAR
SCHEMBL12293268 0.81 RAB9A (0.37) LMNASMN1; SMN2PGRARALDH1A1
SCHEMBL12293317 0.81 PGR (0.38) LMNAPGRARALDH1A1HSD17B10
SCHEMBL12293783 0.79 AR (0.33) PGRAR
SCHEMBL12293953 0.78 PGR (0.46) PGRAR
SCHEMBL12293247 0.77 PGR (0.35) PGRAR

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 LMNA 4095/4885SMN1; SMN2 4885/4885HTT 3002/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA LMNA 4095/4885SMN1; SMN2 4885/4885HTT 3002/4885
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 LMNA 3907/4885SMN1; SMN2 934/4885HTT 2636/4885

“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.