SCHEMBL13701700

SCHEMBL13701700

CC(C)(C)NC(=O)c1cccc(OCCc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.52
GPR132 Q9UNW8 2/20 0.47
SMPD1 P17405 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
PPARG P37231 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL13702368 0.87 GPR132 (0.50) LMNAALDH1A1GPR132SMPD1KMT2A
SCHEMBL13702127 0.85 GPR132 (0.56) LMNAALDH1A1GPR132SMPD1KMT2A
SCHEMBL13702302 0.85 HPGD (0.53) LMNAGPR132SMPD1KMT2AMEN1
SCHEMBL13701726 0.83 LMNA (0.58) LMNAALDH1A1GPR132SMPD1KMT2A
SCHEMBL13701702 0.82 LMNA (0.55) LMNAALDH1A1GPR132SMPD1KMT2A
SCHEMBL3778535 0.81 KMT2A (0.58) GPR132KMT2ASMN1; SMN2KDM4E
SCHEMBL14507861 0.80 OPRM1 (0.54) GPR132KMT2ASMN1; SMN2KDM4ETDP1
SCHEMBL13701720 0.80 LMNA (0.67) LMNAALDH1A1SMPD1KMT2AMEN1
SCHEMBL13701712 0.79 LMNA (0.65) LMNAALDH1A1SMPD1KMT2AMEN1
SCHEMBL13701753 0.78 CYP1A2 (0.61) LMNAALDH1A1KMT2AMEN1TSHR

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX LMNA 1843/4885ALDH1A1 376/4885GPR132 3141/4885

“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.