SCHEMBL4510649

SCHEMBL4510649

C/C(O)=C(\C#N)C(=O)Nc1c(C(N)=O)oc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TEAD1 P28347 1/20 0.54
YAP1 P46937 1/20 0.54
TEAD4 Q15561 1/20 0.54
TEAD2 Q15562 1/20 0.54
HPGD P15428 3/20 0.53
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
MAPK10 P53779 5/20 0.51
KMT2A Q03164 5/20 0.51
TSHR P16473 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 4/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 3/20 0.51
AHR P35869 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 4/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.48

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
SCHEMBL4510650 1.00 ALDH1A1 (0.58) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL4510655 1.00 ALDH1A1 (0.58) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL4499583 0.90 ALDH1A1 (0.51) ALDH1A1HPGDPOLBPKMKMT2A
SCHEMBL4499589 0.90 ALDH1A1 (0.51) ALDH1A1HPGDPOLBPKMKMT2A
SCHEMBL4496227 0.90 ALDH1A1 (0.51) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL4499586 0.90 ALDH1A1 (0.51) ALDH1A1HPGDPOLBPKMKMT2A
SCHEMBL4496234 0.90 ALDH1A1 (0.51) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL4496239 0.90 ALDH1A1 (0.51) ALDH1A1TEAD1YAP1TEAD4TEAD2
SCHEMBL13600918 0.83 LMNA (0.62) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL4508479 0.83 DHODH (0.50) ALDH1A1POLBPKMKMT2ATSHR

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 ALDH1A1 658/4885TEAD1 779/4885YAP1 3266/4885

“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.