SCHEMBL472399

SCHEMBL472399

Cc1cc(Cl)ccc1-c1oc(Cl)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
CASP3 P42574 2/20 0.43
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CRHR1 P34998 3/20 0.37
GRM2 Q14416 1/20 0.36
HSP90AB1 P08238 2/20 0.35
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPBWR1 P48145 1/20 0.35
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL472833 0.74 KDM4E (0.41) NOTUMCASP3KDM4ENPC1ALDH1A1
SCHEMBL472460 0.72 NOTUM (0.53) NOTUMCASP3NPC1ALDH1A1RAB9A
SCHEMBL9954839 0.72 NPC1 (0.45) NOTUMNPC1ALDH1A1RAB9ANFKB1
SCHEMBL29719717 0.72 NOTUM (0.53) NOTUMCASP3GRM2POLBHSD11B1
SCHEMBL472478 0.71 NMUR2 (0.40) NPC1CYP1A2CYP2C19
SCHEMBL472359 0.69 PDE2A (0.38) NOTUMHSD11B1SCN9A
SCHEMBL472356 0.69 HSD11B1 (0.46) NOTUMHSD11B1
SCHEMBL9954602 0.69 NPC1 (0.41) KDM4ENPC1ALDH1A1RAB9AHSD11B1
SCHEMBL12071484 0.68 NOTUM (0.50) NOTUMCASP3GRM2HSP90AB1POLB
SCHEMBL472469 0.67 TRPA1 (0.34) NOTUMKDM4EHSD11B1CYP1A2

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 NOTUM 3762/4885CASP3 2715/4885KDM4E 3900/4885

“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.