SCHEMBL4390891

SCHEMBL4390891

CC(C)(CC#N)CNC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 7/20 0.33
CTSK P43235 6/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSL P07711 2/20 0.31
CTSB P07858 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
SCHEMBL14994052 0.74 CYP2D6 (0.34) MCL1CTSSCTSKCYP2D6CYP2C19
SCHEMBL6729276 0.73 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL1979548 0.73 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL4936016 0.71 KDM4E (0.48) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL6898351 0.71 KDM4E (0.48) MCL1CYP2D6CYP2C19
SCHEMBL18125947 0.71 KDM4E (0.48) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL6730282 0.71 ALDH1A1 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL26688828 0.71 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL27287336 0.70
SCHEMBL2340883 0.70 MCL1 (0.33) MCL1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 MCL1 327/4885SMN1; SMN2 445/4885HSD17B10 3117/4885

“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.