SCHEMBL1209147

SCHEMBL1209147

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(COC(=O)NCc2ccccn2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14292403 0.91 CYP3A4 (0.39) MAPTPOLBKMT2ANPC1RAB9A
SCHEMBL1207755 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMEN1TP53POLB
SCHEMBL1208386 0.89 ALDH1A1 (0.46) ALDH1A1MAPTMEN1TP53POLB
SCHEMBL1209473 0.89 ALDH1A1 (0.52) ALDH1A1MAPTMEN1TP53POLB
SCHEMBL1208375 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMEN1TP53POLB
SCHEMBL1207180 0.88 ALDH1A1 (0.46) ALDH1A1MAPTTP53NPC1RAB9A
SCHEMBL1209649 0.88 ALDH1A1 (0.46) ALDH1A1MAPTMEN1TP53POLB
SCHEMBL1208225 0.88 ALDH1A1 (0.46) ALDH1A1MAPTMEN1TP53POLB
SCHEMBL1208498 0.87 ALDH1A1 (0.53) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL1208915 0.87 ALDH1A1 (0.50) ALDH1A1MAPTMEN1POLBKMT2A

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 865/4885MEN1 4667/4885

“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.