SCHEMBL1033016

SCHEMBL1033016

O=CC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
KAT6A Q92794 4/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
NAMPT P43490 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK14 Q16539 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL4420270 0.85 MAOB (0.52) MAOBKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL690501 0.82 KAT6A (0.54) MAOBKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL496275 0.81 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL29459930 0.81 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL28208860 0.81 KAT6A (0.52) MAOBKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL10561497 0.81 KAT6A (0.52) MAOBKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL6748367 0.80 KAT6A (0.55) MAOBKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL2095288 0.79 KAT6A (0.51) MAOBKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL29448761 0.79 PARP1 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MAPK1
SCHEMBL711132 0.79 PARP1 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US disclosed
US-5344925-A Autoimmune diseases; infections; organ transplants MERCK & CO., INC. (US) 1994-09-06 US disclosed
US-5247076-A IMIDAZOLIDYL MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1993-09-21 US disclosed
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 EP disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 MAOB 483/4885KAT6A 1019/4885TAS1R3 566/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 MAOB 743/4885KAT6A 434/4885TAS1R3 1240/4885

“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.