SCHEMBL9889458

SCHEMBL9889458

Cc1cc(Oc2ccc(CCO)cc2F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.42
SLC6A4 P31645 9/20 0.42
KCNH2 Q12809 9/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
MCL1 Q07820 1/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14656091 0.88 HTR2A (0.47) HTR2ASLC6A4KCNH2ALDH1A1S1PR1
SCHEMBL9889454 0.84 MCL1 (0.41) HTR2ASLC6A4KCNH2ALDH1A1GAA
SCHEMBL9889459 0.82 HTR2A (0.38) HTR2ASLC6A4KCNH2MCL1S1PR1
SCHEMBL9104816 0.82 PLA2G7 (0.47) HTR2ASLC6A4KCNH2
SCHEMBL29918519 0.82 PLA2G7 (0.47) HTR2ASLC6A4KCNH2
SCHEMBL25048113 0.82 FFAR1 (0.45) HTR2ASLC6A4KCNH2ALDH1A1GAA
SCHEMBL31618026 0.82 FFAR1 (0.45) HTR2ASLC6A4KCNH2ALDH1A1GAA
SCHEMBL9108367 0.82 MCL1 (0.46) HTR2ASLC6A4KCNH2ALDH1A1GAA
SCHEMBL9889497 0.81 PLA2G7 (0.49) HTR2ASLC6A4KCNH2
SCHEMBL9904465 0.80 ROCK2 (0.41) HTR2ASLC6A4ALDH1A1GAAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 HTR2A 2226/4885SLC6A4 4517/4885KCNH2 3981/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B HTR2A 1356/4885SLC6A4 4053/4885KCNH2 4294/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B HTR2A 1307/4885SLC6A4 4150/4885KCNH2 4242/4885

“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.