SCHEMBL1209227

SCHEMBL1209227

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)N(C)c1cccnc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
GCGR P47871 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALOX15 P16050 1/20 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 0.93 MAPT (0.44) MAPTGCGRNPSR1SAE1UBA2
SCHEMBL1209343 0.90 MAPT (0.43) MAPTGCGRNPSR1SAE1UBA2
SCHEMBL1207056 0.89 MAPT (0.44) MAPTGCGRNPSR1SAE1UBA2
SCHEMBL1209398 0.88 MAPT (0.44) MAPTGCGRNPSR1SAE1UBA2
SCHEMBL1209327 0.87 MAPT (0.43) MAPTGCGRNPSR1SAE1UBA2
SCHEMBL1209231 0.85 MAPT (0.43) MAPTGCGRNPSR1ALDH1A1HTT
SCHEMBL1207066 0.85 MAPT (0.43) MAPTGCGRNPSR1ALDH1A1HTT
SCHEMBL1209298 0.83 MAPT (0.49) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL1209592 0.83 ALDH1A1 (0.50) MAPTGCGRNPSR1ALDH1A1SMN1; SMN2
SCHEMBL1208538 0.83 MAPT (0.44) MAPTGCGRNPSR1SAE1UBA2

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 4679/4885NPSR1 4276/4885

“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.