SCHEMBL4496239

SCHEMBL4496239

CC(=O)c1oc2ccccc2c1NC(=O)C(C#N)=C(C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.51
DHODH Q02127 5/20 0.50
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
MAPK1 P28482 1/20 0.44
HTR2C P28335 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TEAD1 P28347 1/20 0.41
YAP1 P46937 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4496227 1.00 ALDH1A1 (0.51) ALDH1A1TSHRDHODHLMNASMN1; SMN2
SCHEMBL4496234 1.00 ALDH1A1 (0.51) ALDH1A1TSHRDHODHLMNASMN1; SMN2
SCHEMBL4499583 0.93 ALDH1A1 (0.51) ALDH1A1TSHRDHODHLMNASMN1; SMN2
SCHEMBL4499589 0.93 ALDH1A1 (0.51) ALDH1A1TSHRDHODHLMNASMN1; SMN2
SCHEMBL4499586 0.93 ALDH1A1 (0.51) ALDH1A1TSHRDHODHLMNASMN1; SMN2
SCHEMBL4510649 0.90 ALDH1A1 (0.58) ALDH1A1TSHRDHODHLMNAKDM4E
SCHEMBL4510650 0.90 ALDH1A1 (0.58) ALDH1A1TSHRDHODHLMNAKDM4E
SCHEMBL4510655 0.90 ALDH1A1 (0.58) ALDH1A1TSHRDHODHLMNAKDM4E
SCHEMBL13600918 0.85 LMNA (0.62) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL4508469 0.85 DHODH (0.50) ALDH1A1TSHRDHODHLMNASMN1; SMN2

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 ALDH1A1 658/4885TSHR 4622/4885DHODH 789/4885

“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.