SCHEMBL1209557

SCHEMBL1209557

N#Cc1c(NC(=O)C=Cc2ccco2)sc2c1CCC(OC(=O)N1CCOCC1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
LMNA P02545 4/20 0.61
POLB P06746 4/20 0.61
RAB9A P51151 4/20 0.61
MAPT P10636 4/20 0.61
NPC1 O15118 3/20 0.61
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NR0B1 P51843 1/20 0.61
RECQL P46063 2/20 0.45
EIF4H Q15056 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
FLT3 P36888 1/20 0.43
PTPN5 P54829 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL1208043 0.94 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1207808 0.94 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1210236 0.93 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1210221 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1207922 0.91 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1210169 0.90 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1207817 0.90 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1209002 0.89 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1207756 0.89 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL1209589 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1LMNAPOLB

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 316/4885KMT2A 2064/4885MEN1 4667/4885

“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.