SCHEMBL4391108

SCHEMBL4391108

CC(=O)Nc1ccc(C=CC(=O)O)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.57
P4HTM Q9NXG6 1/20 0.55
PTK2 Q05397 1/20 0.53
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
DEGS1 O15121 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MITF O75030 1/20 0.46
HPGD P15428 1/20 0.46
KLF5 Q13887 1/20 0.46
NPC1 O15118 1/20 0.46
STAT1 P42224 1/20 0.46

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
SCHEMBL4391105 1.00 GCK (0.57) GCKP4HTMPTK2AKR1C3AKR1C2
SCHEMBL18712386 0.84 HCAR3 (0.58) GCKP4HTMRAB9AKDM4ESMN1; SMN2
SCHEMBL2272468 0.84 P4HTM (0.58) GCKP4HTMGAARAB9AKDM4E
SCHEMBL2272462 0.84 P4HTM (0.58) GCKP4HTMGAARAB9AKDM4E
SCHEMBL9000490 0.81 PTK2 (0.53) PTK2CYP1A2GAARAB9AKDM4E
SCHEMBL14993734 0.80 PTK2 (0.46) GCKPTK2CYP1A2GAARAB9A
SCHEMBL16229000 0.80 PTK2 (0.46) GCKPTK2CYP1A2GAARAB9A
SCHEMBL3301252 0.80 PTK2 (0.59) PTK2CYP1A2GAARAB9AKDM4E
SCHEMBL29882896 0.80 PTK2 (0.59) PTK2CYP1A2GAARAB9AKDM4E
SCHEMBL20054606 0.80 PTK2 (0.51) GCKPTK2CYP1A2GAARAB9A

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882738-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-31 EP disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND US (IE) 2015-07-30 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
EP-2882738-A1 NEW ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2015-06-17 EP disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
EP-2785715-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS Aurigene Discovery Technologies Limited (IN) 2014-10-08 EP disclosed
WO-2014023814-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP 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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 GCK 3590/4885P4HTM 1744/4885PTK2 2000/4885
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS FAR1, GAA, ECI1 GCK 1793/4885P4HTM 2694/4885PTK2 3181/4885

“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.