SCHEMBL7988075

SCHEMBL7988075

CNC(=O)c1cc(Cl)ncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
LRRK2 Q5S007 1/20 0.41
ULK1 O75385 2/20 0.41
NNMT P40261 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CASP1 P29466 1/20 0.39
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 0.38
MAPK1 P28482 1/20 0.38
MTOR P42345 2/20 0.37
NUDT1 P36639 2/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL30392436 0.85 NNMT (0.47) SMN1; SMN2LRRK2ULK1NNMTMAPK8
SCHEMBL15688822 0.85 NNMT (0.47) SMN1; SMN2LRRK2ULK1NNMTMAPK8
SCHEMBL7982235 0.84 MTOR (0.44) SMN1; SMN2LRRK2ULK1NNMTMAPK8
SCHEMBL31278662 0.82 SCN10A (0.40) SMN1; SMN2NNMTPDE10ACASP1SCN9A
SCHEMBL22290027 0.82 KMT2A (0.39) SMN1; SMN2LRRK2ULK1NNMTPDE10A
SCHEMBL7454261 0.82 SCN10A (0.40) SMN1; SMN2NNMTPDE10ACASP1SCN9A
SCHEMBL16973704 0.81 ALDH1A1 (0.40) SMN1; SMN2NNMTKCNQ3KCNQ2KCNE1
SCHEMBL17796856 0.80 NNMT (0.44) SMN1; SMN2NNMTPDE10ACASP1NUDT1
SCHEMBL22291639 0.79 USP2 (0.38) SMN1; SMN2LRRK2ULK1NNMTPDE10A
SCHEMBL31436629 0.79 IRAK4 (0.45) LRRK2ULK1NNMTMAPK8MAPK10

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
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
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 SMN1; SMN2 3061/4885LRRK2 1919/4885ULK1 1590/4885

“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.