SCHEMBL9889554

SCHEMBL9889554

Cc1cccc(Oc2ccc(CCN)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
TAAR1 Q96RJ0 4/20 0.58
FFAR1 O14842 1/20 0.51
MAOB P27338 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47

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
SCHEMBL14159532 0.90 ALDH1A1 (0.65) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL506995 0.88 ALDH1A1 (0.68) ALDH1A1FFAR1MAOBHTTTDP1
SCHEMBL22277900 0.85 ALDH1A1 (0.59) ALDH1A1TAAR1FFAR1MAOBHTT
SCHEMBL9889449 0.83 ALDH1A1 (0.57) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL10013918 0.82 ALDH1A1 (0.65) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL12788471 0.82 TAAR1 (0.75) ALDH1A1TAAR1MAOBCYP1A2CYP2A6
SCHEMBL10013917 0.82 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1MEN1
SCHEMBL14159539 0.82 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1MEN1
SCHEMBL170709 0.81 ALDH1A1 (0.62) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL9889556 0.81 ALDH1A1 (0.54) ALDH1A1TAAR1FFAR1CYP1A2HTT

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 ALDH1A1 3079/4885TAAR1 3528/4885FFAR1 386/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 1976/4885TAAR1 2015/4885FFAR1 514/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 2042/4885TAAR1 1985/4885FFAR1 508/4885

“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.