SCHEMBL5496908

SCHEMBL5496908

CCOC(=O)c1c(OC(C)=O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ADORA3 P0DMS8 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
TACR3 P29371 6/20 0.52
TSHR P16473 1/20 0.51
PDE10A Q9Y233 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SCN9A Q15858 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL5498214 0.84 PDE10A (0.62) LMNATACR3TSHRPDE10ADHODH
SCHEMBL9502807 0.82 DHODH (0.64) LMNATACR3TSHRPDE10ADHODH
SCHEMBL523879 0.79 ADORA3 (0.48) SMN1; SMN2LMNAMEN1KMT2AADORA3
SCHEMBL620989 0.79 ADORA3 (0.60) SMN1; SMN2LMNAMEN1KMT2AADORA3
SCHEMBL27583476 0.78 PDE10A (0.60) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL11065774 0.77 LMNA (0.48) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL9505833 0.74 DHODH (0.50) LMNAMAPTTACR3TSHRPDE10A
SCHEMBL8069465 0.74 SCN9A (0.81) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL3906503 0.73 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2AADORA3
SCHEMBL9501944 0.73 DHODH (0.59) LMNATACR3TSHRPDE10ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017676-B1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2007-02-14 EP claimed
US-20060189809-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2006-08-24 US claimed
US-20050171152-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2005-08-04 US claimed
US-20040049031-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2004-03-11 US claimed
EP-1017676-A4 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2002-12-04 EP claimed
US-20020173657-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2002-11-21 US claimed
US-20020038029-A1 Reacting 3-hydroxy-2-phenylquinoline-4-carboxylic acid, in solvent with riethyl amine, cooling,adding thionyl chloride; adding phenyl propylamine, heating to form (-)-(S)-N( alpha -ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide SMITHKLINE BEECHAM CORPORATION 2002-03-28 US claimed
US-6335448-B1 NK-3 RECEPTOR ANTAGONISTS ARE USEFUL IN TREATING THE SYMPTOMS OF COPD AND URINARY INCONTINENCE IN MAMMALS. SMITHKLINE BEECHAM CORPORATION 2002-01-01 US claimed
EP-1017676-A1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP claimed
WO-1999014196-A1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1999-03-25 WO claimed
EP-1017676-B1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2007-02-14 EP disclosed
EP-1017676-B1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2007-02-14 EP disclosed
US-20060189809-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2006-08-24 US disclosed
EP-1652840-A2 (-)-(S)-N-(.alpha.-ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide SMITHKLINE BEECHAM CORPORATION (US) 2006-05-03 EP disclosed
US-20050171152-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2005-08-04 US disclosed
US-20020173657-A1 Method for the synthesis of quinoline derivatives SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
US-20020038029-A1 Reacting 3-hydroxy-2-phenylquinoline-4-carboxylic acid, in solvent with riethyl amine, cooling,adding thionyl chloride; adding phenyl propylamine, heating to form (-)-(S)-N( alpha -ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide SMITHKLINE BEECHAM CORPORATION 2002-03-28 US disclosed
US-6335448-B1 NK-3 RECEPTOR ANTAGONISTS ARE USEFUL IN TREATING THE SYMPTOMS OF COPD AND URINARY INCONTINENCE IN MAMMALS. SMITHKLINE BEECHAM CORPORATION 2002-01-01 US disclosed
EP-1017676-A1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999014196-A1 METHOD FOR THE SYNTHESIS OF QUINOLINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1999-03-25 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 (5 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-20060189809-A1 Method for the synthesis of quinoline derivatives NQO2, CYP3A4, NQO1 SMN1; SMN2 3701/4885LMNA 1556/4885MEN1 2226/4885
US-20020038029-A1 Reacting 3-hydroxy-2-phenylquinoline-4-carboxylic acid, in solvent with riethyl amine, cooling,adding thionyl chloride; adding phenyl propylamine, heating to form (-)-(S)-N( alpha -ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide RPP30, HPD, HRH4 SMN1; SMN2 4166/4885LMNA 4118/4885MEN1 3213/4885
US-20020173657-A1 Method for the synthesis of quinoline derivatives NQO2, QARS1, QPCT SMN1; SMN2 3654/4885LMNA 1996/4885MEN1 2060/4885
US-20050171152-A1 Method for the synthesis of quinoline derivatives NQO2, QARS1, QPCT SMN1; SMN2 3623/4885LMNA 1697/4885MEN1 1860/4885
US-20040049031-A1 Method for the synthesis of quinoline derivatives NQO2, NQO1, CYP3A4 SMN1; SMN2 3684/4885LMNA 1836/4885MEN1 2062/4885

“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.