SCHEMBL9901204

SCHEMBL9901204

COc1ccc(CCOc2nc(Cl)ncc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CASP6 P55212 1/20 0.45
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
SCN9A Q15858 1/20 0.39
MAOB P27338 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 2/20 0.37
MMP13 P45452 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL9900937 0.87 PIN1 (0.49) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL846643 0.86 POLB (0.47) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL9901818 0.84 POLB (0.43) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL9900905 0.84 PIN1 (0.51) POLBCASP6PIN1
SCHEMBL15277247 0.84 CALM1 (0.42) ALDH1A1TAAR1PDGFRBPDGFRAMAOB
SCHEMBL9901720 0.81 PIN1 (0.44) POLBCASP6PIN1TAAR1MAOB
SCHEMBL15262296 0.80 POLB (0.43) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL5259611 0.80 POLB (0.67) POLBCASP6PIN1ALDH1A1GAA
SCHEMBL9901124 0.78 ABCB1 (0.46) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL9905581 0.77 PLA2G7 (0.52) POLBCASP6PIN1

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-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B POLB 2258/4885CASP6 1331/4885PIN1 1366/4885

“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.