SCHEMBL2887900

SCHEMBL2887900

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCCN2CCOCC2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
GRM1 Q13255 1/20 0.51
STAT3 P40763 2/20 0.47
GRM5 P41594 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 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
SCHEMBL2891437 0.96 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2893584 0.89 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2893908 0.89 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2894301 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2887994 0.86 L3MBTL1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2893459 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2893045 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2894563 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2891253 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2893409 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US claimed
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 MEN1 4556/4885KMT2A 2606/4885ALDH1A1 566/4885

“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.