SCHEMBL12895486

SCHEMBL12895486

COc1cccc(C(C)CC(=O)Nc2sc3c(c2N)CCC(OC(=O)N2CCCC2)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
THRB P10828 1/20 0.38
KCNQ2 O43526 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
FLT3 P36888 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD1 Q9Y239 1/20 0.34
ALDH1A1 P00352 2/20 0.34
UGCG Q16739 1/20 0.34

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
SCHEMBL14293238 0.90 L3MBTL1 (0.39) L3MBTL1MAPTHTTALDH1A1
SCHEMBL1208838 0.89 ALDH1A1 (0.48) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL14292425 0.86 KDM4E (0.38) MAPTALDH1A1
SCHEMBL14292416 0.83 RAB9A (0.41) L3MBTL1MAPTHTTPOLBMEN1
SCHEMBL1207173 0.83 ALDH1A1 (0.46) L3MBTL1MAPTPOLBMEN1KMT2A
SCHEMBL12894588 0.83 THRB (0.41) RXFP1THRBL3MBTL1FLT3MAPT
SCHEMBL12895473 0.80 MAPT (0.39) RXFP1THRBMAPTPOLBMEN1
SCHEMBL12895684 0.80 SLC8A1 (0.36) RXFP1THRBFLT3MAPTPOLB
SCHEMBL12895524 0.80 MAPT (0.35) RXFP1THRBMAPTPOLBMEN1
SCHEMBL12895374 0.79 THRB (0.35) RXFP1THRBFLT3MAPTPOLB

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
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO 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 RXFP1 4173/4885THRB 489/4885KCNQ2 3762/4885

“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.