SCHEMBL4499583

SCHEMBL4499583

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

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
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
MAPK1 P28482 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL4499589 1.00 ALDH1A1 (0.51) ALDH1A1TSHRDHODHTP53POLB
SCHEMBL4499586 1.00 ALDH1A1 (0.51) ALDH1A1TSHRDHODHTP53POLB
SCHEMBL4496234 0.93 ALDH1A1 (0.51) ALDH1A1TSHRDHODHTP53KDM4E
SCHEMBL4496227 0.93 ALDH1A1 (0.51) ALDH1A1TSHRDHODHTP53KDM4E
SCHEMBL4496239 0.93 ALDH1A1 (0.51) ALDH1A1TSHRDHODHTP53KDM4E
SCHEMBL4510655 0.90 ALDH1A1 (0.58) ALDH1A1TSHRDHODHTP53POLB
SCHEMBL4510649 0.90 ALDH1A1 (0.58) ALDH1A1TSHRDHODHTP53POLB
SCHEMBL4510650 0.90 ALDH1A1 (0.58) ALDH1A1TSHRDHODHTP53POLB
SCHEMBL13600918 0.85 LMNA (0.62) ALDH1A1TSHRKDM4EHTTMEN1
SCHEMBL4508479 0.85 DHODH (0.50) ALDH1A1TSHRDHODHPOLBKDM4E

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 658/4885TSHR 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.