SCHEMBL9105108

SCHEMBL9105108

N=C(NCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1)NOC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.44
HDAC1 Q13547 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
PLA2G7 Q13093 1/20 0.43
SCN9A Q15858 1/20 0.42
RAF1 P04049 7/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL9109636 0.85 PPARG (0.45) BRAFHDAC1CA1CA2CA7
Trifluoroacetic Acid SCHEMBL9105100 0.84 PPARG (0.47) BRAFHDAC1CA1CA2CA7
SCHEMBL9901954 0.83 RAF1 (0.45) BRAFHDAC1CA1CA2CA7
SCHEMBL9104205 0.83 IDO1 (0.45) BRAFHDAC1CA1CA2CA7
SCHEMBL15428908 0.81 BRAF (0.43) BRAFHDAC1CA7CA9SCN9A
SCHEMBL5447702 0.75 HPGD (0.47) CA1CA2CA9
Trifluoroacetic Acid SCHEMBL9109627 0.75 PPARG (0.53) BRAFHDAC1PLA2G7SCN9ARAF1
SCHEMBL9108277 0.74 SLC6A4 (0.50) BRAFHDAC1CA7CA9PLA2G7
SCHEMBL29642151 0.74 SLC6A4 (0.50) BRAFHDAC1CA7CA9PLA2G7
SCHEMBL9900968 0.72 IDO1 (0.48) BRAFHDAC1PLA2G7RAF1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 BRAF 2852/4885HDAC1 3120/4885CA1 3147/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 BRAF 2852/4885HDAC1 3120/4885CA1 3147/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B BRAF 3261/4885HDAC1 4281/4885CA1 4277/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B BRAF 3209/4885HDAC1 4312/4885CA1 4347/4885

“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.