SCHEMBL2893295

SCHEMBL2893295

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GRM1 Q13255 3/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL2895742 0.95 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2969326 0.87 MEN1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2893294 0.87 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2962845 0.86 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2960503 0.86 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2961251 0.86 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3349049 0.86 L3MBTL1 (0.60) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2971928 0.86 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3347785 0.86 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2893598 0.86 MEN1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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 2606/4885L3MBTL1 2017/4885

“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.