SCHEMBL13337855

SCHEMBL13337855

N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)NCCc1ccccn1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 3/20 0.60
▸ ALDH1A1 P00352 10/20 0.52
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ HPGD P15428 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ MAPT P10636 7/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ GRM1 Q13255 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ GAA P10253 3/20 0.49
▸ BLM P54132 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ TNNI3 P19429 1/20 0.48
▸ TNNT2 P45379 1/20 0.48

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
SCHEMBL2895807 0.88 MEN1 (0.56) STAT3ALDH1A1MEN1KMT2AMAPT
SCHEMBL13337834 0.88 ALDH1A1 (0.56) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL2891592 0.87 MEN1 (0.51) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL4209225 0.86 STAT3 (0.59) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL3418587 0.86 ALDH1A1 (0.56) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL3423055 0.85 ALDH1A1 (0.54) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL3421217 0.84 ALDH1A1 (0.57) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL3421886 0.83 ALDH1A1 (0.61) STAT3ALDH1A1MEN1KMT2AHPGD
SCHEMBL2887735 0.83 STAT3 (0.47) STAT3MEN1KMT2AHPGDMAPK10
SCHEMBL2895837 0.82 STAT3 (0.48) STAT3ALDH1A1MEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 — — US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 — — 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 (2 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-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES RB1, MCL1, CCAR2 STAT3 357/4885ALDH1A1 935/4885MEN1 3560/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 STAT3 268/4885ALDH1A1 412/4885MEN1 3291/4885

“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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