SCHEMBL4273908

SCHEMBL4273908

CCOC(=O)c1cc2cccc(OCOC)c2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 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
SCHEMBL13064936 0.81 ALDH1A1 (0.57) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL16008122 0.79 CDK1 (0.57) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL5745495 0.78 DHODH (0.39) KDM4EALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4271229 0.77 MAOA (0.44) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL16009066 0.75 GLA (0.56) KDM4EALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL3021978 0.74 CYP2A6 (0.39) ALDH1A1NPC1SMN1; SMN2MAPTMMP13
SCHEMBL3276252 0.74 KDM4E (0.57) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL25721602 0.73 KDM4E (0.56) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL15367087 0.73 KDM4E (0.63) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL16505827 0.72 RAB9A (0.54) RAB9AKDM4EALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 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 (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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 RAB9A 3249/4885KDM4E 3867/4885ALDH1A1 3787/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH RAB9A 3495/4885KDM4E 4047/4885ALDH1A1 3931/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 RAB9A 1195/4885KDM4E 2544/4885ALDH1A1 788/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 RAB9A 1019/4885KDM4E 1730/4885ALDH1A1 1016/4885

“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.