SCHEMBL2893294

SCHEMBL2893294

COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCC(N)=O)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
STAT3 P40763 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL2893598 0.91 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2887147 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2895742 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2893295 0.87 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2895644 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2891842 0.87 STAT3 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2969326 0.86 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2895634 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2895528 0.86 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2961251 0.86 MEN1 (0.54) 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 4 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
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 WO 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.