SCHEMBL13166370

SCHEMBL13166370

COCCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2CC#N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MAPT P10636 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
LMNA P02545 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
NR0B1 P51843 1/20 0.47
EIF4H Q15056 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FLT3 P36888 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 5/20 0.38

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
SCHEMBL13185054 0.93 LMNA (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13336329 0.89 MEN1 (0.61) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3356011 0.89 MEN1 (0.61) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13166373 0.88 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13166374 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13166371 0.85 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13166372 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13166059 0.81 MEN1 (0.65) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3352423 0.81 MEN1 (0.65) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13185056 0.81 MAPT (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 ALDH1A1 686/4885SMN1; SMN2 3183/4885MAPT 1150/4885

“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.