SCHEMBL9901720

SCHEMBL9901720

Fc1cnc(Cl)nc1OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
MAOB P27338 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP19A1 P11511 1/20 0.38
PDE2A O00408 1/20 0.37
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
MIF P14174 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
DAO P14920 1/20 0.35
MPO P05164 1/20 0.35

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) PIN1TAAR1POLBCASP6MAOB
SCHEMBL9900949 0.86 THRB (0.44) POLBCASP6
SCHEMBL9901818 0.84 POLB (0.43) PIN1POLBCASP6CYP11B1CYP11B2
SCHEMBL15262847 0.84 PIN1 (0.43) PIN1TAAR1MAOBCYP11B1CYP11B2
SCHEMBL15277250 0.84 TAAR1 (0.41) TAAR1MAOBCYP11B1CYP11B2CYP19A1
SCHEMBL15262573 0.81 L3MBTL1 (0.46) POLB
SCHEMBL9901204 0.81 POLB (0.45) PIN1TAAR1POLBCASP6MAOB
SCHEMBL15262208 0.81 IDO1 (0.40) PIN1POLBCASP6
SCHEMBL9905581 0.79 PLA2G7 (0.52) PIN1POLBCASP6
SCHEMBL9900905 0.79 PIN1 (0.51) PIN1POLBCASP6PPARG

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 PIN1 1366/4885TAAR1 3575/4885POLB 2258/4885

“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.