SCHEMBL2894069

SCHEMBL2894069

COc1cc(CNC(=O)N2CCc3c(sc(NC(=O)CCc4ccccc4OC)c3C#N)C2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM1 Q13255 3/20 0.44
STAT3 P40763 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43
P2RX3 P56373 2/20 0.42

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
SCHEMBL2895644 0.91 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2887902 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2891842 0.88 STAT3 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2887634 0.88 GRM1 (0.54) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2894194 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2891220 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2894485 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2887078 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2895634 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2893598 0.86 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 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.