SCHEMBL12743239

SCHEMBL12743239

CC(=O)c1nc(C#N)cs1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRM1 Q13255 1/20 0.37
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GRM5 P41594 2/20 0.31
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4777182 0.81 MYC (0.38) CYP1A2CYP2D6CYP2C9GRM1HSD17B10
SCHEMBL17256744 0.77 RBBP9 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9GRM1
SCHEMBL17256745 0.77 RBBP9 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9GRM1
SCHEMBL17257490 0.74 HSD17B10 (0.34) HSD17B10MAPT
SCHEMBL17257489 0.74 HSD17B10 (0.34) HSD17B10MAPT
SCHEMBL689854 0.73 L3MBTL1 (0.56) CYP1A2CYP2D6CYP2C9GRM1HSD17B10
SCHEMBL27045168 0.73 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4ESMN1; SMN2MAPT
SCHEMBL17257573 0.72 HSD17B10 (0.33) HSD17B10
SCHEMBL1706430 0.71
SCHEMBL1669191 0.71 KDM1A (0.49) ALDH1A1KDM1AMAPT

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-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 EP disclosed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 WO disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 ALDH1A1 1373/4885CYP1A2 1383/4885CYP2D6 3010/4885

“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.