SCHEMBL12686151

SCHEMBL12686151

COC(=O)c1cc(-c2ccc(N(C)C)cc2)c(Cl)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRA1 P14867 1/20 0.50
ABL1 P00519 1/20 0.48
KDM4E B2RXH2 5/20 0.43
GAA P10253 3/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
USP28 Q96RU2 1/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL16647131 0.86 ABL1 (0.60) ABL1KDM4EGAASLC6A4SLC6A3
SCHEMBL12492326 0.84 SLC6A3 (0.54) GABRA2ABL1KDM4EGAASLC6A4
SCHEMBL12685883 0.83 KDM4E (0.57) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL12685882 0.83 SLC6A4 (0.54) ABL1KDM4EGAASLC6A4SLC6A3
SCHEMBL12685871 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL12685887 0.80 SLC6A3 (0.50) ABL1KDM4EGAASLC6A4SLC6A3
SCHEMBL5534654 0.79 KDM4E (0.53) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL23540111 0.78 SLC6A4 (0.55) ABL1KDM4EGAASLC6A4SLC6A3
SCHEMBL29476131 0.78 SLC6A4 (0.55) ABL1KDM4EGAASLC6A4SLC6A3
SCHEMBL12685878 0.78 ALDH1A1 (0.48) GABRG2GABRB3GABRA3GABRA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-9855260-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2018-01-02 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-20150238480-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC 2015-08-27 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-9061998-B2 Quinolinone derivatives GLAXOSMITHKLINE LLC (US) 2015-06-23 US disclosed
US-20130345212-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2012119978-A1 QUINOLINONE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2012-09-13 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 (2 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-20150238480-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 GABRG2 2112/4885GABRB3 1065/4885GABRA3 1647/4885
US-20130345212-A1 QUINOLINONE DERIVATIVES PRKAG2, PRKAB2, PRKAG1 GABRG2 2112/4885GABRB3 1065/4885GABRA3 1647/4885

“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.