SCHEMBL4492424

SCHEMBL4492424

COc1ccc(CC(=O)Nc2c(C(C)=O)oc3ccc(/C(C)=C/C(=O)N4CCOCC4)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
RAD52 P43351 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4492430 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTHRBMAPT
SCHEMBL4492434 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBTHRBMAPT
SCHEMBL4517187 0.82 CYSLTR2 (0.50) ALDH1A1KDM4EPOLBTHRBMAPT
SCHEMBL4517191 0.82 CYSLTR2 (0.50) ALDH1A1KDM4EPOLBTHRBMAPT
SCHEMBL4517183 0.82 CYSLTR2 (0.50) ALDH1A1KDM4EPOLBTHRBMAPT
SCHEMBL4504059 0.76 CYSLTR2 (0.56) ALDH1A1KDM4EPOLBTHRBMEN1
SCHEMBL4504069 0.76 CYSLTR2 (0.56) ALDH1A1KDM4EPOLBTHRBMEN1
SCHEMBL4493137 0.74 RAB9A (0.40) ALDH1A1KDM4EMAPTMEN1TSHR
SCHEMBL4493133 0.74 RAB9A (0.40) ALDH1A1KDM4EMAPTMEN1TSHR
SCHEMBL4493128 0.74 RAB9A (0.40) ALDH1A1KDM4EMAPTMEN1TSHR

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 ALDH1A1 658/4885KDM4E 1903/4885POLB 3626/4885

“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.