SCHEMBL13701948

SCHEMBL13701948

COc1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
DGAT2 Q96PD7 1/20 0.57
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
USP2 O75604 1/20 0.54
AURKA O14965 1/20 0.53
RAB9A P51151 1/20 0.53
KLKB1 P03952 1/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.52
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PRKACA P17612 1/20 0.50
GSK3A P49840 1/20 0.50

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
SCHEMBL14508050 0.84 KLKB1 (0.56) ALDH1A1MEN1KMT2AKLKB1LMNA
SCHEMBL13701852 0.83 KLKB1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL13701945 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9416562 0.81 MMP13 (0.76) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25426943 0.79 DGAT2 (0.63) SMN1; SMN2DGAT2ALDH1A1MEN1KMT2A
SCHEMBL13701947 0.79 L3MBTL1 (0.62) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2922655 0.78 MMP13 (0.81) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17531724 0.78 MMP13 (0.71) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17538594 0.78 MMP13 (0.88) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9416645 0.77 MMP13 (0.94) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A

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 MMP13 574/4885SMN1; SMN2 4398/4885DGAT2 1509/4885

“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.