SCHEMBL9889441

SCHEMBL9889441

Cc1cc(Oc2ccc(/C=C/[N+](=O)[O-])cc2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.60
TLR2 O60603 2/20 0.60
FBP1 P09467 13/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TERT O14746 1/20 0.51
VCP P55072 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 1/20 0.42

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
SCHEMBL1975635 0.84 FBP1 (0.58) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL1975634 0.84 FBP1 (0.58) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL9106600 0.80 TLR4 (0.56) TLR4TLR2FBP1TERTEGFR
SCHEMBL9106586 0.80 TLR4 (0.56) TLR4TLR2FBP1TERTEGFR
SCHEMBL9107585 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL510018 0.76 TLR4 (1.00) TLR4TLR2FBP1MEN1KMT2A
SCHEMBL510019 0.76 TLR4 (1.00) TLR4TLR2FBP1MEN1KMT2A
SCHEMBL6564428 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1SMN1; SMN2EGFR
SCHEMBL12635599 0.74 FBP1 (0.79) TLR4TLR2FBP1KMT2AVCP
SCHEMBL9106441 0.74 KDM4E (0.44) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 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-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 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 (5 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B TLR4 1152/4885TLR2 1301/4885FBP1 682/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 TLR4 1632/4885TLR2 2043/4885FBP1 1236/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B TLR4 1661/4885TLR2 1984/4885FBP1 825/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 TLR4 2223/4885TLR2 2424/4885FBP1 1074/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B TLR4 1668/4885TLR2 2000/4885FBP1 845/4885

“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.