SCHEMBL12895684

SCHEMBL12895684

CCn1nccc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3cccc(OC)c3)c2N)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 4/20 0.36
THRB P10828 1/20 0.35
MAPT P10636 7/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FLT3 P36888 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL1209119 0.91 ALDH1A1 (0.40) THRBMAPTLMNAMEN1KMT2A
SCHEMBL12895691 0.90 SLC8A1 (0.35) SLC8A1THRBMAPTLMNATP53
SCHEMBL12895369 0.86 SLC8A1 (0.34) SLC8A1THRBMAPTLMNATP53
SCHEMBL12895524 0.84 MAPT (0.35) THRBMAPTLMNATP53RXFP1
SCHEMBL12895374 0.84 THRB (0.35) THRBMAPTLMNATP53RXFP1
SCHEMBL1210084 0.83 ALDH1A1 (0.41) THRBMAPTPOLBMEN1KMT2A
SCHEMBL14293499 0.83 MAPT (0.39) THRBMAPTLMNAPOLBMEN1
SCHEMBL12895473 0.82 MAPT (0.39) THRBMAPTLMNATP53RXFP1
SCHEMBL1209436 0.82 MAPT (0.41) MAPTLMNATP53POLBMEN1
SCHEMBL1209698 0.81 ALDH1A1 (0.40) MAPTLMNATP53POLBMEN1

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 SLC8A1 4677/4885THRB 489/4885MAPT 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.