SCHEMBL4494671

SCHEMBL4494671

C/C=C/C(=O)Nc1c(C(C)=O)oc2cc(OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL4494676 1.00 KDM4E (0.49) KDM4EALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL4510286 0.85 MMP1 (0.54) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL4510297 0.85 MMP1 (0.54) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL14425348 0.77 KDM4E (0.46) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL4503337 0.76 MAPT (0.53) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL4503345 0.76 MAPT (0.53) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL13699798 0.74 CA12 (0.55) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL13600996 0.74 SMN1; SMN2 (0.42) KDM4EALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL4494862 0.73 KDM4E (0.46) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL4509868 0.73 SMN1; SMN2 (0.60) KDM4EALDH1A1TSHRSMN1; SMN2NPC1

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 KDM4E 1903/4885ALDH1A1 658/4885TSHR 4622/4885

“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.