SCHEMBL472514

SCHEMBL472514

Cc1ncoc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.45
MAPK14 Q16539 1/20 0.44
IMPDH2 P12268 2/20 0.42
IMPDH1 P20839 1/20 0.40
CYP1B1 Q16678 1/20 0.39
KMO O15229 6/20 0.39
IKBKB O14920 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 1/20 0.36
MAP3K14 Q99558 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL472545 0.85 MAPK14 (0.47) MAPK14IMPDH2IMPDH1KMO
SCHEMBL472537 0.81 KMO (0.42) IMPDH2IMPDH1KMONOTUM
SCHEMBL472411 0.79 GAA (0.49) MAPK14IMPDH2IMPDH1NPC1RAB9A
SCHEMBL9953638 0.77 NOTUM (0.47) MAPK14IMPDH2NPC1RAB9ANOTUM
SCHEMBL15929467 0.75 IMPDH2 (0.50) MAPK14IMPDH2IMPDH1NPC1RAB9A
SCHEMBL472496 0.74 IMPDH2 (0.41) MAPK14IMPDH2IMPDH1KMO
SCHEMBL10432318 0.73 KMO (0.51) KMO
SCHEMBL9585814 0.73 ALOX5 (0.51) NOTUM
SCHEMBL3743984 0.72 NOTUM (0.52) NOTUM
SCHEMBL3998459 0.72 IMPDH2 (0.50) MAPK14IMPDH2IMPDH1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 AHR 620/4885MAPK14 3543/4885IMPDH2 4461/4885

“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.