SCHEMBL2432475

SCHEMBL2432475

Cc1c(Cl)cccc1NC(=O)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.72
POLB P06746 2/20 0.72
MAPT P10636 3/20 0.63
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.52
CETP P11597 1/20 0.51

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
SCHEMBL15621420 0.84 PDK1 (0.69) LMNAPOLBMAPTMAPK1KMT2A
SCHEMBL29524443 0.84 PDK1 (0.68) LMNAPOLBALDH1A1HPGDKMT2A
SCHEMBL3535796 0.84 PDK1 (0.68) LMNAPOLBALDH1A1HPGDKMT2A
SCHEMBL6352865 0.83 PDK1 (0.76) LMNAPOLB
SCHEMBL3793230 0.83 PDK1 (0.55) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL2093177 0.82 MAPT (0.71) LMNAPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL3785961 0.82 CETP (0.58) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL2093176 0.80 MAPT (0.69) LMNAPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL476919 0.80 LMNA (0.69) LMNAPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL14631798 0.79 SMN1; SMN2 (0.56) LMNAPOLBMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0205272-B1 CINNOLINE DERIVATIVES ICI AMERICAS INC. (US) 1991-08-14 EP disclosed
US-4886800-A Substituted cinnoline derivatives as CNS depressants ICI AMERICAS INC. (US) 1989-12-12 US disclosed
EP-0205272-A2 Cinnoline derivatives ICI AMERICAS INC. (US) 1986-12-17 EP 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 4095/4885POLB 4296/4885MAPT 2977/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA LMNA 4095/4885POLB 4296/4885MAPT 2977/4885
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 3907/4885POLB 4293/4885MAPT 3790/4885

“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.