SCHEMBL1206989

SCHEMBL1206989

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)NCc1cnn(C)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.39
GCGR P47871 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 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
SCHEMBL1207465 0.91 MAPT (0.47) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL12895451 0.90 TP53 (0.38) MAPTALDH1A1KMT2AMEN1TP53
SCHEMBL1208598 0.89 MAPT (0.44) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1207332 0.89 MAPT (0.42) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1209231 0.89 MAPT (0.43) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1209333 0.89 MAPT (0.43) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1208815 0.88 MAPT (0.43) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1208847 0.88 MAPT (0.42) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1207555 0.88 MAPT (0.49) MAPTALDH1A1NPC1ALOX15MAPK1
SCHEMBL1207057 0.87 MAPT (0.45) MAPTALDH1A1NPC1ALOX15MAPK1

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 865/4885ALDH1A1 316/4885NPC1 4410/4885

“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.