SCHEMBL864138

SCHEMBL864138

[c]1ccc(NCc2cccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.72
ALDH1A1 P00352 3/20 0.66
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
PABPC1 P11940 1/20 0.56
CYP1A2 P05177 5/20 0.56
CYP2D6 P10635 4/20 0.56
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
CYP2C19 P33261 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 4/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 2/20 0.49
APAF1 O14727 1/20 0.48
HK1 P19367 1/20 0.48
HKDC1 Q2TB90 1/20 0.48

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
SCHEMBL523753 0.84 LTA4H (1.00) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL30642394 0.84 LTA4H (1.00) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL5605047 0.82 LTA4H (0.82) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL1044020 0.81 CYP1A2 (0.75) LTA4HALDH1A1CYP1A2CYP2D6
SCHEMBL10371775 0.79 LTA4H (0.72) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL6730610 0.79 LTA4H (0.72) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL10561769 0.79 LTA4H (0.72) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL171745 0.79 ALDH1A1 (1.00) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL6730573 0.79 LTA4H (0.72) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL6710546 0.79 LTA4H (0.72) LTA4HALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 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 (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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE LTA4H 57/4885ALDH1A1 779/4885MAPT 2715/4885

“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.