SCHEMBL1209327

SCHEMBL1209327

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)N(C)c1ccno1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
GCGR P47871 1/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL1208595 0.89 MAPT (0.44) MAPTGCGRGAAALDH1A1HSD17B10
SCHEMBL1207056 0.89 MAPT (0.44) MAPTGCGRGAAALDH1A1HSD17B10
SCHEMBL1209398 0.88 MAPT (0.44) MAPTGCGRGAAALDH1A1HSD17B10
SCHEMBL1209227 0.87 MAPT (0.43) MAPTGCGRGAAALDH1A1TP53
SCHEMBL1209330 0.85 MAPT (0.43) MAPTGAAALDH1A1HSD17B10TP53
SCHEMBL1209298 0.83 MAPT (0.49) MAPTGAAALDH1A1HSD17B10TP53
SCHEMBL1207337 0.83 ALDH1A1 (0.50) MAPTGCGRGAAALDH1A1TP53
SCHEMBL1207555 0.82 MAPT (0.49) MAPTALDH1A1HSD17B10TP53ALOX15
SCHEMBL1209308 0.82 MAPT (0.47) MAPTGCGRALDH1A1HSD17B10TP53
SCHEMBL1207465 0.81 MAPT (0.47) MAPTGCGRALDH1A1HSD17B10TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD MAPT 865/4885GCGR 4679/4885GAA 3689/4885

“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.