SCHEMBL4518064

SCHEMBL4518064

C/C=C/C(=O)NC(C)c1cc2cccc(OCCCCl)c2o1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.48
DRD2 P14416 1/20 0.42
MAPT P10636 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ADORA2A P29274 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4518068 1.00 CNR2 (0.48) CNR2DRD2MAPTKMT2AMEN1
SCHEMBL4505868 0.88 TDP1 (0.46) CNR2DRD2MAPTKMT2AMEN1
SCHEMBL4505862 0.88 TDP1 (0.46) CNR2DRD2MAPTKMT2AMEN1
SCHEMBL4495518 0.85 MAPT (0.53) MAPTKMT2AMEN1ADORA2AADORA1
SCHEMBL13600942 0.85 MAPT (0.53) MAPTKMT2AMEN1ADORA2AADORA1
SCHEMBL4504081 0.72 KMT2A (0.53) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4504074 0.72 KMT2A (0.53) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL13601005 0.72 ALDH1A1 (0.48) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4503151 0.69 LMNA (0.58) MAPTKMT2AMEN1ADORA2AADORA1
SCHEMBL4516121 0.69 CNR2 (0.43) CNR2DRD2MAPTKMT2AMEN1

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 CNR2 514/4885DRD2 3693/4885MAPT 1497/4885

“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.