SCHEMBL5947809

SCHEMBL5947809

N#C/C=C(/c1ccc(F)cc1)c1ccc(C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.44
MAOB P27338 1/20 0.44
PDE4A P27815 8/20 0.42
PDE4B Q07343 8/20 0.42
PDE4C Q08493 8/20 0.42
PDE4D Q08499 8/20 0.42
PTGS1 P23219 1/20 0.42
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5947811 1.00 PARP10 (0.44) PARP10MAOBPDE4APDE4BPDE4C
SCHEMBL4927520 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5947873 0.79 HDAC2 (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL12441973 0.79 CES2 (0.62) PARP10MAOBPTGS1MAPTCES2
SCHEMBL52708 0.79 CES2 (0.62) PARP10MAOBPTGS1MAPTCES2
SCHEMBL5947872 0.79 HDAC2 (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5948110 0.77 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5948108 0.77 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DMAPT
Hydrochloric Acid SCHEMBL3845508 0.77 CES2 (0.59) PARP10MAOBPTGS1MAPTCES2
Hydrochloric Acid SCHEMBL4375910 0.77 CES2 (0.59) PARP10MAOBPTGS1MAPTCES2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 PARP10 4546/4885MAOB 609/4885PDE4A 1392/4885

“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.