SCHEMBL4491377

SCHEMBL4491377

Cc1oncc1C(=O)NC(C)c1cc2cccc(OCC(=O)O)c2o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
DRD2 P14416 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPT P10636 2/20 0.38
ACACB O00763 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
STING1 Q86WV6 1/20 0.37

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
SCHEMBL13600937 0.92 CNR2 (0.43) CNR2RAB9ANPC1PPARGNCOA2
SCHEMBL6002145 0.80 MEN1 (0.45) RAB9ANPC1PPARGNCOA2NCOA1
SCHEMBL4516388 0.73 ADORA3 (0.41) CNR2DRD2ADORA3ADORA2AADORA1
SCHEMBL4516375 0.73 ADORA3 (0.41) CNR2DRD2ADORA3ADORA2AADORA1
SCHEMBL4516383 0.73 ADORA3 (0.41) CNR2DRD2ADORA3ADORA2AADORA1
SCHEMBL7967332 0.69 MAPT (0.48) CNR2ADORA3ADORA2AADORA1MAPT
SCHEMBL4503151 0.66 LMNA (0.58) RAB9ANPC1ADORA2AADORA1MAPT
SCHEMBL4505862 0.65 TDP1 (0.46) CNR2PPARGDRD2MAPTMEN1
SCHEMBL4505868 0.65 TDP1 (0.46) CNR2PPARGDRD2MAPTMEN1
SCHEMBL4516119 0.64 CNR2 (0.43) CNR2DRD2ADORA3ADORA2AADORA1

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 CNR2 514/4885RAB9A 4698/4885NPC1 1377/4885

“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.