SCHEMBL2160734

SCHEMBL2160734

Cc1cc(S)cc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
GRM5 P41594 5/20 0.36
XDH P47989 1/20 0.36
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.32
VCAM1 P19320 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
SCHEMBL5419827 0.82 TRPV4 (0.46) ALDH1A1CYP2A6TTRALBTRPV4
SCHEMBL1004620 0.82 ALDH1A1 (0.52) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL2160825 0.82 TRPV4 (0.46) ALDH1A1CYP2A6TTRALBTRPV4
SCHEMBL501406 0.82 ALDH1A1 (0.52) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL1145630 0.73
SCHEMBL10423056 0.73
SCHEMBL23133397 0.71 TTR (0.43) TTRALBTRPV4MEN1KMT2A
SCHEMBL3258882 0.71 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL18934332 0.71 ALDH1A1 (0.42) ALDH1A1CYP2A6TTRALBGRM5
SCHEMBL255241 0.71 GRM5 (0.45) ALDH1A1CYP2A6TTRALBGRM5

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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DPYD, TYMP, PNPO ALDH1A1 460/4885CYP2A6 118/4885TTR 1331/4885

“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.