SCHEMBL2887735

SCHEMBL2887735

N#Cc1c(NC(=O)CCC2CCCCC2)sc2c1CCN(C(=O)NCCc1ccccn1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK10 P53779 2/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ GRM1 Q13255 2/20 0.41
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL2893613 0.93 MEN1 (0.53) STAT3MEN1KMT2AHPGDMAPK10
SCHEMBL3423426 0.90 MAPK10 (0.49) STAT3MEN1KMT2AHPGDMAPK10
SCHEMBL3415429 0.88 MEN1 (0.51) STAT3MEN1KMT2AHPGDMAPK10
SCHEMBL2893475 0.87 MEN1 (0.47) STAT3MEN1KMT2AMAPK10MAPK9
SCHEMBL2895807 0.87 MEN1 (0.56) STAT3MEN1KMT2AL3MBTL1CRHBP
SCHEMBL2893432 0.86 MEN1 (0.48) STAT3MEN1KMT2AMAPK10MAPK9
SCHEMBL13337855 0.83 STAT3 (0.60) STAT3MEN1KMT2AHPGDMAPK10
SCHEMBL2891387 0.83 STAT3 (0.48) STAT3MEN1KMT2AL3MBTL1
SCHEMBL2895632 0.83 MEN1 (0.48) STAT3MEN1KMT2AMAPK10MAPK9
SCHEMBL2895790 0.82 SMN1; SMN2 (0.51) MEN1KMT2AL3MBTL1

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 461/4885MEN1 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.

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