SCHEMBL1209582

SCHEMBL1209582

Cc1nocc1CNC(=O)OCC1CCc2c(sc(NC(=O)C=Cc3ccco3)c2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
KDM4E B2RXH2 6/20 0.53
POLB P06746 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
NR0B1 P51843 1/20 0.53
PTPN5 P54829 1/20 0.45
EIF4H Q15056 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL1209578 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1209440 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1209181 0.89 PTPN5 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1209577 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1207947 0.88 NOD1 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1209241 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL12882718 0.87 PTPN5 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1208310 0.87 PTPN5 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1207554 0.87 PTPN5 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1209371 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP 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 ALDH1A1 316/4885SMN1; SMN2 2135/4885KDM4E 2054/4885

“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.