SCHEMBL1209405

SCHEMBL1209405

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)N(C)C2CCOCC2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
GCGR P47871 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM1 Q13255 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1209188 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1209408 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1208967 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1207337 0.85 ALDH1A1 (0.50) ALDH1A1GCGRSMN1; SMN2POLBMAPT
SCHEMBL1207895 0.84 ALDH1A1 (0.53) ALDH1A1GCGRSMN1; SMN2MAPTMEN1
SCHEMBL1207710 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1209592 0.83 ALDH1A1 (0.50) ALDH1A1GCGRSMN1; SMN2POLBMAPT
SCHEMBL1209765 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1209732 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1209518 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBMAPTMEN1

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 4679/4885SMN1; SMN2 2135/4885

“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.