SCHEMBL1209347

SCHEMBL1209347

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(COC(=O)NCc1cccnc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GCGR P47871 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTK2B Q14289 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 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
SCHEMBL1209615 0.94 ALDH1A1 (0.44) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL1208540 0.93 ALDH1A1 (0.46) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL1209448 0.93 ALDH1A1 (0.48) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL14293180 0.91 MAPT (0.44) ALDH1A1MAPTTP53RAB9APOLB
SCHEMBL1209231 0.90 MAPT (0.43) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL1209457 0.89 ALDH1A1 (0.46) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL12895665 0.89 ALDH1A1 (0.45) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL1209820 0.89 ALDH1A1 (0.46) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL1207711 0.88 ALDH1A1 (0.51) ALDH1A1MAPTTP53RAB9ANPC1
SCHEMBL1207199 0.88 ALDH1A1 (0.44) ALDH1A1MAPTTP53POLBMEN1

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
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 ALDH1A1 316/4885MAPT 865/4885TP53 46/4885

“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.