SCHEMBL2887075

SCHEMBL2887075

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccno2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
GRM5 P41594 2/20 0.49
STAT3 P40763 2/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2891702 0.90 MEN1 (0.52) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2891379 0.89 MEN1 (0.55) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2888004 0.88 MEN1 (0.53) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2895633 0.88 MEN1 (0.51) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2893234 0.88 MEN1 (0.52) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2895812 0.88 MEN1 (0.54) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2890475 0.88 MEN1 (0.54) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2897336 0.87 MEN1 (0.52) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2894301 0.87 MEN1 (0.59) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2887987 0.87 MEN1 (0.53) GRM1MEN1KMT2AALDH1A1MAPT

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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 GRM1 2923/4885MEN1 4556/4885KMT2A 2606/4885

“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.