SCHEMBL98175

SCHEMBL98175

CC(=O)Oc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
BLM P54132 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 3/20 0.43
MMP1 P03956 1/20 0.42
MMP12 P39900 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 1/20 0.42
MAPK1 P28482 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
SCHEMBL1978356 1.00 CA12 (0.49) CA12CA9KDM4EALDH1A1BLM
SCHEMBL29445560 0.81 CA12 (0.43) CA12CA9KDM4EALDH1A1RECQL
SCHEMBL28686883 0.81 CA12 (0.43) CA12CA9KDM4EALDH1A1RECQL
SCHEMBL1114643 0.80 CA12 (0.55) CA12CA9KDM4EALDH1A1BLM
SCHEMBL28596100 0.78 CA12 (0.43) CA12CA9KDM4EALDH1A1BCHE
SCHEMBL28594343 0.78 CA12 (0.43) CA12CA9KDM4EALDH1A1BCHE
SCHEMBL23646037 0.77 BCHE (0.69) KDM4EALDH1A1BLMTDP1POLB
SCHEMBL1137647 0.75 CA12 (0.43) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL1135824 0.72 GRIN2D (0.49) KDM4EALDH1A1BLMTDP1POLB
SCHEMBL19713074 0.72 CA12 (0.50) CA12CA9KDM4EALDH1A1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES LOHSE OLIVIER (FR) 2012-08-30 US claimed
JP-4726778-B2 2011-07-20 JP claimed
EP-1613599-B8 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2011-06-22 EP claimed
EP-1613599-B1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2010-12-15 EP claimed
EP-1791820-B1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2009-12-02 EP claimed
US-7605267-B2 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2009-10-20 US claimed
US-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE LOHSE OLIVIER 2009-02-26 US claimed
EP-1791820-A2 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES Novartis AG (CH) 2007-06-06 EP claimed
JP-2006522055-A 2006-09-28 JP claimed
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones NOVARTIS AG (CH) 2006-08-24 US claimed
EP-1613599-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES Novartis AG (CH) 2006-01-11 EP claimed
WO-2005123684-A2 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE NOVARTIS AG (CH) 2005-12-29 WO claimed
WO-2004087668-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2004-10-14 WO claimed
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
WO-2003042164-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC (US) 2003-05-22 WO disclosed
WO-2003042160-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2003-05-22 WO disclosed
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 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 (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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 CA12 2597/4885CA9 3433/4885KDM4E 3505/4885
US-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE HAX1, OPRK1, OPRD1 CA12 4380/4885CA9 3811/4885KDM4E 1913/4885
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES OPRM1, OPRD1, HAX1 CA12 4307/4885CA9 3977/4885KDM4E 2180/4885
US-20060189653-A1 Process for the preparation of 5-(halocetyl)-8-(substituted oxy)-(1h)-quinolin-2-ones UGT8, KAT8, UGT1A8 CA12 508/4885CA9 97/4885KDM4E 2964/4885

“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.