SCHEMBL1209714

SCHEMBL1209714

COc1cccc(C(C)CC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)N(C)c2cccnc2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GCGR P47871 2/20 0.40
MAPT P10636 7/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL1207861 0.93 ALDH1A1 (0.46) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1208759 0.92 GCGR (0.45) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1208397 0.90 ALDH1A1 (0.44) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1209592 0.87 ALDH1A1 (0.50) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1209716 0.86 ALDH1A1 (0.44) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1207394 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1208816 0.84 GCGR (0.46) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1207878 0.83 ALDH1A1 (0.45) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1209258 0.83 GCGR (0.42) ALDH1A1GCGRMAPTMEN1KMT2A
SCHEMBL1207862 0.82 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB

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 ALDH1A1 316/4885GCGR 4679/4885MAPT 865/4885

“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.