SCHEMBL2887994

SCHEMBL2887994

COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCCN1CCOCC1)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX3 P56373 1/20 0.44
KDM4E B2RXH2 1/20 0.43
STAT3 P40763 2/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2893950 0.96 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2887147 0.88 MEN1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2893598 0.87 MEN1 (0.53) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2887900 0.86 MEN1 (0.53) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2887895 0.85 MEN1 (0.46) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2893294 0.85 MEN1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2895634 0.85 MEN1 (0.50) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2891387 0.84 STAT3 (0.48) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2895742 0.84 MEN1 (0.59) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2891856 0.84 HPGD (0.48) L3MBTL1KMT2AMEN1ALDH1A1MAPT

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 L3MBTL1 2017/4885KMT2A 2606/4885MEN1 4556/4885

“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.