SCHEMBL13166368

SCHEMBL13166368

CCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1CC#N)CCN(C(=O)OCc1ccncc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
TP53 P04637 3/20 0.41
PDE4D Q08499 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 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
SCHEMBL13185007 0.93 MAPT (0.41) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL13336319 0.90 MAPT (0.50) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL3353480 0.90 MAPT (0.50) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL13166369 0.87 MAPT (0.41) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL13166375 0.84 PDE4D (0.45) MAPTKMT2AMEN1GAATP53
SCHEMBL13166374 0.83 ALDH1A1 (0.46) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL13166264 0.83 MEN1 (0.51) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL3352356 0.83 MEN1 (0.51) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL3351911 0.83 MEN1 (0.48) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL13166367 0.83 MEN1 (0.48) MAPTKMT2AALDH1A1HSD17B10MEN1

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 MAPT 1150/4885KMT2A 2220/4885ALDH1A1 686/4885

“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.