SCHEMBL4249708

SCHEMBL4249708

O=C(O)c1ccc(=O)n(Cc2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
KDM4C Q9H3R0 1/20 0.50
ALDH1A1 P00352 6/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
BRD4 O60885 2/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
ALKBH2 Q6NS38 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 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
SCHEMBL13702423 0.84 BRD4 (0.66) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL13702144 0.81 BRD4 (0.49) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL6168536 0.79 KDM4E (0.52) KDM4EKDM4CALDH1A1MAPTTSHR
SCHEMBL1617368 0.79 BRD4 (0.70) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL16672390 0.76 BRD4 (0.40) KDM4EKDM4CALDH1A1MAPTBRD4
SCHEMBL1257213 0.75 BRD4 (0.54) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL9339105 0.74 KMT2A (0.58) KDM4EL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3783283 0.74 KDM4C (0.45) KDM4EKDM4CALDH1A1MAPTTSHR
SCHEMBL7229327 0.74 BRD4 (0.59) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL17457945 0.73 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1NPSR1HDAC3

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 KDM4E 1988/4885KDM4C 1832/4885ALDH1A1 376/4885

“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.