SCHEMBL13701945

SCHEMBL13701945

COc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
PKM P14618 2/20 0.63
LMNA P02545 2/20 0.63
QSOX1 O00391 1/20 0.63
TP53 P04637 3/20 0.62
KDM4E B2RXH2 2/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
KMT2A Q03164 6/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 5/20 0.60
MAPK1 P28482 1/20 0.60
AR P10275 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL4250109 0.88 KDM4E (0.73) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL13701948 0.83 MMP13 (0.58) SMN1; SMN2RAB9AALDH1A1MAPTLMNA
SCHEMBL13701850 0.82 RAB9A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3377974 0.81 RAB9A (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6802217 0.79 NPC1 (0.83) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL30455725 0.79 NPC1 (0.76) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL13701946 0.77 GAA (0.63) SMN1; SMN2ALDH1A1MAPTPKMLMNA
SCHEMBL8769758 0.77 ALDH1A1 (0.55) RAB9AALDH1A1MAPTPKMLMNA
SCHEMBL8770154 0.77 MEN1 (0.55) NPC1RAB9AALDH1A1MAPTPKM
SCHEMBL18641345 0.77 RAB9A (1.00) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 SMN1; SMN2 4398/4885NPC1 1477/4885RAB9A 2708/4885

“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.