SCHEMBL4248311

SCHEMBL4248311

O=C(NCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.61
PTGS2 P35354 3/20 0.57
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
RPA1 P27694 1/20 0.49
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL4246867 0.96 EPHX2 (0.64) EPHX2PTGS2CACNA1GCACNA1HMAPT
SCHEMBL4246189 0.91 PTGS2 (0.56) EPHX2PTGS2MAPTHDAC3HDAC4
SCHEMBL4252961 0.89 PTAFR (0.54) EPHX2PTGS2MAPTHDAC3HDAC4
SCHEMBL4252750 0.85 PTGS2 (0.54) EPHX2PTGS2MAPTHDAC3HDAC4
SCHEMBL4256182 0.84 EPHX2 (0.86) EPHX2KMT2ANAMPT
SCHEMBL4251818 0.84 PTGS2 (0.69) EPHX2PTGS2MAPTHDAC3HDAC4
SCHEMBL4251801 0.83 PTGS2 (0.55) EPHX2PTGS2MAPTHDAC3HDAC4
SCHEMBL4250793 0.82 EPHX2 (0.71) EPHX2PTGS2MAPTHDAC3HDAC4
SCHEMBL3473666 0.80 IDH1 (0.52) MAPTRPA1ALDH1A1KMT2ANAMPT
SCHEMBL13701951 0.80 EPHX2 (0.89) EPHX2KMT2ANAMPT

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 4 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO 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 EPHX2 2/4885PTGS2 158/4885CACNA1G 4511/4885

“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.