SCHEMBL4259603

SCHEMBL4259603

O=C(O)c1ccc(Oc2cccnc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 2/20 0.56
TNF P01375 1/20 0.56
NOD1 Q9Y239 1/20 0.56
GALR3 O60755 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.54
APP P05067 1/20 0.54
GAA P10253 1/20 0.54
HCAR3 P49019 1/20 0.54
HCAR2 Q8TDS4 1/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
LTA4H P09960 1/20 0.50
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HTR2C P28335 1/20 0.47
LMNA P02545 2/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL1271501 0.85 MAPT (0.57) L3MBTL1MAPTHRH3
SCHEMBL13875945 0.83 RAB9A (0.61) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL4257740 0.81 MAPT (0.59) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL29524445 0.81 SRD5A2 (0.61) RAB9ANPC1ALDH1A1APPGAA
SCHEMBL4318678 0.81 SRD5A2 (0.61) RAB9ANPC1ALDH1A1APPGAA
SCHEMBL23488237 0.78 ALDH1A1 (0.62) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL30803809 0.77 MAPT (0.51) RAB9AL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL30803814 0.77 HRH3 (0.60) MAPTHRH3
SCHEMBL693688 0.77 HRH3 (0.60) MAPTHRH3
SCHEMBL30803810 0.77 HRH3 (0.55) L3MBTL1GAAMAPTKMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F RAB9A 1928/4885L3MBTL1 682/4885NPC1 3348/4885

“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.