SCHEMBL2895339

SCHEMBL2895339

COc1cccc(C2CC2C(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCCc2ccncc2)C3)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
DGAT2 Q96PD7 8/20 0.47
GRM1 Q13255 1/20 0.46
STAT3 P40763 3/20 0.45
KDM4E B2RXH2 1/20 0.44
GRM5 P41594 3/20 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
SCHEMBL2893932 0.93 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL2895482 0.93 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL4775702 0.91 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL2888074 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2891105 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL4773187 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL2896268 0.88 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL2893535 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTDGAT2
SCHEMBL2893526 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2895828 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTDGAT2

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.