SCHEMBL1208272

SCHEMBL1208272

COc1cccc(C(C)CC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)NC(C)c2c[nH]nc2C)C3)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
MAPT P10636 7/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NT5E P21589 1/20 0.36

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
SCHEMBL1209254 0.92 MAPT (0.43) ALDH1A1MAPTRAB9ANPC1POLB
SCHEMBL1208777 0.91 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1208901 0.89 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1208708 0.89 MAPT (0.39) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1209508 0.85 MAPT (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1207394 0.84 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1208184 0.82 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1207862 0.82 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1209458 0.82 ALDH1A1 (0.42) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1207082 0.82 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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 316/4885MAPT 865/4885RAB9A 2531/4885

“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.