SCHEMBL4249071

SCHEMBL4249071

O=C(O)c1ccc(=O)n(CC(=O)N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
FKBP1A P62942 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 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
SCHEMBL14034428 0.84 GAA (0.46) GAANPSR1TDP1PTGS2SMN1; SMN2
SCHEMBL13702308 0.82 ALDH1A1 (0.49) GAANPSR1TDP1SMN1; SMN2MEN1
SCHEMBL14007196 0.81 HRH3 (0.47) GAANPSR1TDP1PTGS2SMN1; SMN2
SCHEMBL13701815 0.81 MEN1 (0.44) GAANPSR1TDP1SMN1; SMN2MEN1
SCHEMBL4250096 0.81 ALDH1A1 (0.52) GAASMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL6165714 0.80 HDAC6 (0.55) GAANPSR1TDP1PTGS2SMN1; SMN2
SCHEMBL14007252 0.78 EPHX2 (0.56) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL14007265 0.76 EPHX2 (0.48) SMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL14507441 0.75 SMN1; SMN2 (0.49) GAASMN1; SMN2MEN1KMT2APOLB
SCHEMBL25078428 0.73 BRD4 (0.45) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 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 (2 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-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors EPHX1, EPHX2, DOHH GAA 899/4885NPSR1 2485/4885TDP1 1196/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX GAA 784/4885NPSR1 3715/4885TDP1 1137/4885

“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.