SCHEMBL472437

SCHEMBL472437

COc1ccc(-c2ocnc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CDK2 P24941 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
ENPP3 O14638 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL472791 0.80 GSK3B (0.46) GSK3BKMT2AMEN1CDK2CLK4
SCHEMBL27840064 0.80 MAPK14 (0.51) GSK3BKMT2AMEN1CDK2CLK4
SCHEMBL27398917 0.76 MAPK14 (0.54)
SCHEMBL2874460 0.75 ADORA2A (0.50) KDM4EALDH1A1
SCHEMBL27934283 0.75 CYP1A1 (0.45) GSK3BKMT2AMEN1CDK2KDM4E
SCHEMBL27398900 0.74 PAX8 (0.42) GSK3BKMT2AMEN1CDK2ALDH1A1
SCHEMBL13312249 0.73 GSK3B (0.60) GSK3BKMT2AMEN1CDK2KDM4E
SCHEMBL6539721 0.73 ESR2 (0.55) GSK3BKMT2AMEN1CDK2KDM4E
SCHEMBL1167270 0.73 GSK3B (0.63) GSK3BKMT2AMEN1CDK2KDM4E
SCHEMBL13617383 0.72 ADORA2A (0.65) GSK3BKMT2AMEN1CDK2KDM4E

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 GSK3B 3141/4885KMT2A 4103/4885MEN1 3373/4885

“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.