SCHEMBL13166369

SCHEMBL13166369

CCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1CC#N)CCN(C(=O)OCCc1ccccn1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE4D Q08499 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
NPSR1 Q6W5P4 3/20 0.36
KMT2A Q03164 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
PTPN2 P17706 1/20 0.36

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
SCHEMBL3352538 0.91 L3MBTL1 (0.46) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL13336320 0.91 L3MBTL1 (0.46) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL13166368 0.87 MAPT (0.42) MAPTTP53ALDH1A1KDM4EPDE4D
SCHEMBL13166373 0.85 KMT2A (0.43) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL13166257 0.85 TGFBR1 (0.48) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL3354540 0.85 TGFBR1 (0.48) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL3353602 0.84 L3MBTL1 (0.47) MAPTTP53ALDH1A1KDM4EPTGDR2
SCHEMBL13166366 0.84 L3MBTL1 (0.47) MAPTTP53ALDH1A1KDM4EPTGDR2
SCHEMBL13166375 0.83 PDE4D (0.45) MAPTTP53NPC1PDE4DADORA3
SCHEMBL3355172 0.81 STAT3 (0.46) MAPTTP53NPC1RAB9AALDH1A1

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-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
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
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 1150/4885TP53 60/4885NPC1 4710/4885

“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.