SCHEMBL13701946

SCHEMBL13701946

O=C(Nc1ccc(-n2cccn2)cc1)c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.58
TBK1 Q9UHD2 2/20 0.57
MAPT P10636 1/20 0.56
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
ALDH1A1 P00352 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
STAT3 P40763 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNK3 O14649 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
SCHEMBL3377974 0.90 RAB9A (0.55) MEN1KMT2APKMHTTMAPT
SCHEMBL8769758 0.89 ALDH1A1 (0.55) MEN1KMT2APKMHTTTBK1
SCHEMBL8770154 0.89 MEN1 (0.55) GAAMEN1KMT2APKMHTT
SCHEMBL4253031 0.87 RAB9A (0.62) MEN1KMT2AHTTMAPTKDM4E
N-Phenylbenzamide SCHEMBL27770845 0.84 HTT (0.55) MEN1KMT2AHTTKDM4EJAK2
SCHEMBL3871686 0.84 GCGR (0.59) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL21254779 0.81 ALDH1A1 (0.48) MEN1KMT2APKMHTTTBK1
SCHEMBL13701850 0.80 RAB9A (0.54) GAAMEN1KMT2APKMHTT
SCHEMBL13701947 0.80 L3MBTL1 (0.62) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL19242053 0.79 GAA (1.00) GAAKMT2AHTTMAPTMAPK1

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 3 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
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 GAA 784/4885MEN1 4409/4885KMT2A 3792/4885

“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.