SCHEMBL4517183

SCHEMBL4517183

CCN(CC)C(=O)/C=C(\C)c1ccc2oc(C(C)=O)c(NC(=O)Cc3ccc(OC)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 3/20 0.42
ATM Q13315 1/20 0.41
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 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
SCHEMBL4517187 1.00 CYSLTR2 (0.50) CYSLTR2CYSLTR1ALDH1A1KDM4EPOLB
SCHEMBL4517191 1.00 CYSLTR2 (0.50) CYSLTR2CYSLTR1ALDH1A1KDM4EPOLB
SCHEMBL4492434 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTHRBKMT2A
SCHEMBL4492424 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTHRBKMT2A
SCHEMBL4492430 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTHRBKMT2A
SCHEMBL4504272 0.76 CYSLTR2 (0.81) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL4504266 0.76 CYSLTR2 (0.81) CYSLTR2CYSLTR1LTB4RLTB4R2
SCHEMBL4491258 0.74 CYSLTR2 (0.50) CYSLTR2CYSLTR1ALDH1A1KDM4EPOLB
SCHEMBL13600966 0.72 HSD17B10 (0.49) CYSLTR2CYSLTR1ALDH1A1KDM4EKMT2A
SCHEMBL4507892 0.72 HSD17B10 (0.49) CYSLTR2CYSLTR1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 EP 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R CYSLTR2 4/4885CYSLTR1 5/4885ALDH1A1 658/4885

“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.