SCHEMBL7982235

SCHEMBL7982235

CNC(=O)c1cc(C)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LRRK2 Q5S007 1/20 0.40
ULK1 O75385 1/20 0.40
SORT1 Q99523 1/20 0.39
NNMT P40261 1/20 0.39
PIK3CA P42336 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CASP1 P29466 1/20 0.38
MAPT P10636 2/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
SPR P35270 1/20 0.37

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
SCHEMBL2086294 0.86 NNMT (0.46) MTORSMN1; SMN2LRRK2SORT1NNMT
SCHEMBL7988075 0.84 SMN1; SMN2 (0.43) MTORSMN1; SMN2LRRK2ULK1NNMT
SCHEMBL14023609 0.79 SORT1 (0.45) SMN1; SMN2LRRK2SORT1RAB9ANPC1
SCHEMBL25841901 0.79 SORT1 (0.36) SMN1; SMN2SORT1NNMTRAB9ANPC1
SCHEMBL30100715 0.79 SORT1 (0.45) SMN1; SMN2LRRK2SORT1RAB9ANPC1
SCHEMBL4750181 0.79 GAA (0.42) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL25841898 0.78 NNMT (0.49) LRRK2NNMTCASP1MAPTPOLB
SCHEMBL14023629 0.78 L3MBTL1 (0.56) MTORSMN1; SMN2SORT1MAPTMAPK1
SCHEMBL15632532 0.76 SPR (0.40) MTORNNMTPIK3CAMAPTSPR
SCHEMBL14979283 0.75 KMT2A (0.37) SORT1NNMTNPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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 (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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 MTOR 922/4885SMN1; SMN2 3061/4885LRRK2 1919/4885

“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.