SCHEMBL472478

SCHEMBL472478

Cc1nc(Cl)oc1-c1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 1/20 0.40
ALOX5 P09917 2/20 0.38
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE2A O00408 3/20 0.32
PDE10A Q9Y233 1/20 0.32
NMT1 P30419 1/20 0.32
DGAT1 O75907 2/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL472356 0.79 HSD11B1 (0.46) ALOX5APFEN1PDE2APDE10A
SCHEMBL9954602 0.78 NPC1 (0.41) NMUR2PDE2APDE10AL3MBTL1NPC1
SCHEMBL472566 0.74 NPC1 (0.37) RXFP1DGAT1MAPTPTGS2L3MBTL1
SCHEMBL472488 0.73 PTGS2 (0.35) CYP1A2PTGS2ESR1ESR2
SCHEMBL472449 0.72 NMUR2 (0.39) NMUR2ALOX5ALOX5APFEN1NMT1
SCHEMBL472399 0.71 NOTUM (0.45) CYP1A2CYP2C19NPC1
SCHEMBL472410 0.69 ABL1 (0.40) CYP1A2PTGS2ESR1ESR2
SCHEMBL472426 0.69 NISCH (0.39) MAPTTP53PTGS2NPC1ESR1
SCHEMBL472372 0.69 CA2 (0.33) CYP1A2L3MBTL1NPC1
SCHEMBL472469 0.69 TRPA1 (0.34) CYP1A2CYP2C9PDE2A

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 NMUR2 388/4885ALOX5 792/4885ALOX5AP 882/4885

“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.