SCHEMBL1417628

SCHEMBL1417628

CC(C)NC(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
XDH P47989 1/20 0.48
TRPA1 O75762 3/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
CTSL P07711 2/20 0.46
TBXA2R P21731 1/20 0.45
S1PR3 Q99500 2/20 0.43
LMNA P02545 1/20 0.43
AR P10275 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42

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
SCHEMBL1418139 0.83 FLT1 (0.58) FLT1FLT4KDRALDH1A1AVPR2
SCHEMBL12670950 0.82 TRPA1 (0.56) ALDH1A1GAAXDHTRPA1GPR27
SCHEMBL6619362 0.80 ALOX5 (0.60) ALDH1A1XDHLMNAJAK2JAK1
SCHEMBL392298 0.80 FLT1 (0.51) FLT1FLT4KDRALDH1A1GAA
SCHEMBL13754447 0.79 ALDH1A1 (0.72) FLT1FLT4KDRALDH1A1GAA
SCHEMBL12670866 0.79 FLT1 (0.54) FLT1FLT4KDRALDH1A1AVPR2
SCHEMBL19249058 0.79 TRPA1 (0.57) ALDH1A1GAAXDHTRPA1TBXA2R
SCHEMBL19249057 0.78 ALDH1A1 (0.49) ALDH1A1GAAXDHTBXA2RAR
SCHEMBL3362814 0.77 FLT1 (0.51) FLT1FLT4KDRALDH1A1AVPR2
SCHEMBL883600 0.76 HPGD (0.56) ALDH1A1GAACTSLLMNA

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
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP 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
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 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 (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 FLT1 3760/4885FLT4 4277/4885KDR 4650/4885

“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.