SCHEMBL4501981

SCHEMBL4501981

COc1ccc(CCNC(=O)/C=C(/C)c2ccc3oc(C(C)=O)c(N)c3c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
NAMPT P43490 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4501984 1.00 SMN1; SMN2 (0.49) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4501966 1.00 SMN1; SMN2 (0.49) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4517542 0.84 NAMPT (0.57) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4517549 0.84 NAMPT (0.57) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4517553 0.84 NAMPT (0.57) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4506440 0.81 CYSLTR2 (0.51) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4506447 0.81 CYSLTR2 (0.51) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4498688 0.80 KMT2A (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4500655 0.78 NAMPT (0.56) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL4500657 0.78 NAMPT (0.56) SMN1; SMN2POLBMEN1KMT2AALDH1A1

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 SMN1; SMN2 2975/4885POLB 3626/4885MEN1 3723/4885

“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.