SCHEMBL4490312

SCHEMBL4490312

O=C(/C=C/c1ccccc1)Nc1c(Cl)oc2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
MAOA P21397 4/20 0.52
TRPM2 O94759 1/20 0.48
EGFR P00533 7/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP1 P03956 5/20 0.46
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL4490315 1.00 MAOB (0.52) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4492607 0.84 ALDH1A1 (0.54) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4492601 0.84 ALDH1A1 (0.54) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4503970 0.83 SMN1; SMN2 (0.51) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4503961 0.83 SMN1; SMN2 (0.51) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4496350 0.83 MAOB (0.49) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4496355 0.83 MAOB (0.49) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL13600995 0.83 MAPT (0.43) EGFRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4496628 0.79 ALDH1A1 (0.48) MAOBMAOATRPM2EGFRALDH1A1
SCHEMBL4496632 0.79 ALDH1A1 (0.48) MAOBMAOATRPM2EGFRALDH1A1

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 MAOB 2020/4885MAOA 2570/4885TRPM2 61/4885

“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.