SCHEMBL4504069

SCHEMBL4504069

CC(=O)c1oc2ccc(C(C)=CC(=O)N3CCOCC3)cc2c1NC(=O)C(C#N)=C(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
TSHR P16473 2/20 0.35
TERT O14746 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4504059 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1TSHRTERTALDH1A1
SCHEMBL4496311 0.90 CYSLTR2 (0.53) CYSLTR2CYSLTR1TSHRTERTALDH1A1
SCHEMBL4496310 0.90 CYSLTR2 (0.53) CYSLTR2CYSLTR1TSHRTERTALDH1A1
SCHEMBL4504266 0.81 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL4504272 0.81 CYSLTR2 (0.81) CYSLTR2CYSLTR1
SCHEMBL4493128 0.76 RAB9A (0.40) TSHRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL4493133 0.76 RAB9A (0.40) TSHRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL4493137 0.76 RAB9A (0.40) TSHRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL4492434 0.76 ALDH1A1 (0.44) TSHRALDH1A1KDM4EPOLBMEN1
SCHEMBL4492430 0.76 ALDH1A1 (0.44) TSHRALDH1A1KDM4EPOLBMEN1

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-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 5/4885TSHR 4622/4885

“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.