SCHEMBL875806

SCHEMBL875806

N#Cc1cc(CO)ccc1Oc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP19A1 P11511 5/20 0.61
AR P10275 1/20 0.45
TTR P02766 1/20 0.44
MAPK14 Q16539 1/20 0.44
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
PGGT1B P53609 5/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARD Q03181 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL875393 0.85 AR (0.47) ALDH1A1SMN1; SMN2CYP19A1ARTTR
SCHEMBL875025 0.82 SLC22A12 (0.47) ALDH1A1SMN1; SMN2ARSLC22A12
SCHEMBL875366 0.81 AR (0.49) ALDH1A1SMN1; SMN2CYP19A1ARTTR
SCHEMBL14662289 0.81 AR (0.44) ALDH1A1SMN1; SMN2CYP19A1ARTTR
SCHEMBL14670094 0.81 AR (0.46) ALDH1A1SMN1; SMN2CYP19A1ARTTR
SCHEMBL875726 0.81 CYP3A4 (0.51) ALDH1A1SMN1; SMN2CYP19A1ARTTR
SCHEMBL14662241 0.80 AR (0.48) ALDH1A1SMN1; SMN2CYP19A1ARTTR
SCHEMBL10244925 0.80 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2CYP19A1TTRLMNA
SCHEMBL5565443 0.80 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2CYP19A1MAPK14LMNA
SCHEMBL14663625 0.78 FNTA (0.52) ALDH1A1SMN1; SMN2ARTTRFNTA

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 20 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-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
EP-2736908-A1 BICYCLIC PYRIMIDONE COMPOUNDS Glaxo Group Limited (GB) 2014-06-04 EP disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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 (4 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 ALDH1A1 1690/4885SMN1; SMN2 3152/4885CYP19A1 1963/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885SMN1; SMN2 4240/4885CYP19A1 998/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 ALDH1A1 2825/4885SMN1; SMN2 3417/4885CYP19A1 2261/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885SMN1; SMN2 4240/4885CYP19A1 998/4885

“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.