SCHEMBL2890873

SCHEMBL2890873

COc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1ccccn1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM1 Q13255 8/20 0.42
GRM5 P41594 2/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL2891257 0.94 STAT3 (0.46) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13239798 0.91 MEN1 (0.46) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2891395 0.90 GRM1 (0.47) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4775176 0.90 STAT3 (0.44) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2894811 0.89 ALDH1A1 (0.47) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2891839 0.89 GRM1 (0.47) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2887655 0.88 STAT3 (0.49) STAT3MEN1KMT2AGRM1
SCHEMBL2895828 0.87 MEN1 (0.52) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL2893526 0.86 MEN1 (0.44) STAT3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4050404 0.85 MEN1 (0.51) STAT3ALDH1A1MAPTSMN1; SMN2MEN1

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 STAT3 461/4885ALDH1A1 566/4885MAPT 1389/4885

“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.