SCHEMBL1207752

SCHEMBL1207752

N#Cc1c(NC(=O)C=Cc2ccoc2)sc2c1CCC(OC(=O)NCCc1cccnc1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
POLB P06746 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NR0B1 P51843 1/20 0.39
TGFBR1 P36897 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN5 P54829 1/20 0.38
GAA P10253 3/20 0.38
GCGR P47871 1/20 0.36
ESR1 P03372 1/20 0.36
OPRK1 P41145 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL1208213 0.93 ALDH1A1 (0.44) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL12882609 0.92 TGFBR1 (0.42) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1209218 0.92 TGFBR1 (0.42) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1207487 0.90 PTPN5 (0.42) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1207270 0.89 ALDH1A1 (0.54) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1210886 0.89 TGFBR1 (0.40) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1210590 0.87 NOD1 (0.45) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1210397 0.87 TGFBR1 (0.45) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1208124 0.86 TGFBR1 (0.42) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1208910 0.86 PTPN5 (0.44) ALDH1A1POLBMAPTMEN1KMT2A

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 316/4885POLB 1250/4885MAPT 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.