SCHEMBL4276853

SCHEMBL4276853

COC(=O)c1cc2c(F)cc(F)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.49
EIF4A3 P38919 1/20 0.48
CYP1A2 P05177 1/20 0.44
CNR1 P21554 1/20 0.43
ALPL P05186 2/20 0.43
PARP1 P09874 1/20 0.42
XDH P47989 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT3 P36888 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29897794 1.00 ULK1 (0.49) ULK1EIF4A3CYP1A2CNR1ALPL
SCHEMBL30189198 0.84 ULK1 (0.47) ULK1EIF4A3CYP1A2ALPLPARP1
SCHEMBL21490329 0.84 ULK1 (0.53) ULK1EIF4A3CYP1A2XDHMEN1
SCHEMBL30310352 0.84 ULK1 (0.47) ULK1EIF4A3CYP1A2ALPLPARP1
SCHEMBL24020651 0.84 GRIN1 (0.50) ULK1EIF4A3CYP1A2ALPLMEN1
SCHEMBL24020677 0.84 ULK1 (0.47) ULK1EIF4A3CYP1A2ALPLPARP1
SCHEMBL30310315 0.84 GRIN1 (0.50) ULK1EIF4A3CYP1A2ALPLMEN1
SCHEMBL2504301 0.84 ULK1 (0.53) ULK1CYP1A2PARP1XDHMEN1
SCHEMBL3299097 0.84 ULK1 (0.47) ULK1EIF4A3CYP1A2ALPLPARP1
SCHEMBL30310404 0.84 ULK1 (0.53) ULK1CYP1A2PARP1XDHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671795-B Indole compound, preparation method and application thereof in aldehyde ketone detection 中国环境科学研究院 2022-08-19 CN claimed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP 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
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
CN-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 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-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 ULK1 1828/4885EIF4A3 4015/4885CYP1A2 88/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 ULK1 1781/4885EIF4A3 2314/4885CYP1A2 137/4885

“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.