SCHEMBL472581

SCHEMBL472581

Clc1ccc(-c2ocnc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KDM4E B2RXH2 3/20 0.44
NOTUM Q6P988 4/20 0.41
LTA4H P09960 3/20 0.39
CASP3 P42574 2/20 0.38
MAPK14 Q16539 2/20 0.38
FFAR4 Q5NUL3 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL27398917 0.80 MAPK14 (0.54) NOTUMMAPK14NPC1RAB9A
SCHEMBL2874460 0.79 ADORA2A (0.50) KDM4ENOTUMMAPK14NPC1RAB9A
SCHEMBL472411 0.76 GAA (0.49) GAAKDM4ENOTUMLTA4HMAPK14
SCHEMBL472653 0.76 GSK3B (0.45) NOTUMLTA4HCASP3MAPK14LMNA
SCHEMBL1930577 0.73 GAA (0.50) GAAKDM4ENOTUMLTA4HCASP3
SCHEMBL1931971 0.72 GAA (0.53) GAAKDM4ENOTUMMAPK14FFAR4
SCHEMBL27799634 0.72 GAA (0.45) GAAKDM4ENOTUMLTA4HMAPK14
SCHEMBL17567252 0.72 MAPK14 (0.47) GAAKDM4ENOTUMCASP3MAPK14
SCHEMBL6315147 0.72 GAA (0.49) GAAKDM4ENOTUMLTA4HMAPK14
SCHEMBL6708437 0.71 MAPK14 (0.71) GAAKDM4ENOTUMMAPK14RAB9A

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 GAA 3675/4885KDM4E 3900/4885NOTUM 3762/4885

“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.