SCHEMBL1209294

SCHEMBL1209294

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(COC(=O)N2CCOCC2)C3)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
GRM1 Q13255 1/20 0.44
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1207302 0.94 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL14292959 0.90 POLB (0.41) ALDH1A1MAPTL3MBTL1POLBRAB9A
SCHEMBL1208967 0.90 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL1209158 0.88 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1208498 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1209675 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1209473 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1209127 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1209684 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL14292964 0.83 RXFP1 (0.43) ALDH1A1KMT2AMAPTLMNARAB9A

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
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 316/4885MEN1 4667/4885KMT2A 2064/4885

“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.