SCHEMBL545163

SCHEMBL545163

CCOC(=O)c1cnc2ccc(OC)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.65
ALDH1A1 P00352 4/20 0.62
HPGD P15428 4/20 0.62
KDM4E B2RXH2 3/20 0.62
F2 P00734 1/20 0.57
GLA P06280 1/20 0.57
HPGDS O60760 4/20 0.53
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL26681960 0.90 MAOB (0.61) MAOBALDH1A1HPGDKDM4EPDGFRB
SCHEMBL1040763 0.89 MAOB (0.80) MAOBHPGDS
Hydrochloric Acid SCHEMBL6312857 0.88 MAOB (0.78) MAOBHPGDS
SCHEMBL28782953 0.88 MAOB (0.56) MAOBALDH1A1HPGDKDM4EF2
SCHEMBL20799517 0.86 ALDH1A1 (0.62) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL28701482 0.86 MAOB (0.57) MAOBALDH1A1HPGDKDM4EHPGDS
SCHEMBL29365635 0.86 MAOB (0.57) MAOBALDH1A1HPGDKDM4EHPGDS
SCHEMBL26680685 0.83 MAOB (0.56) MAOBALDH1A1KDM4EPDGFRBPDGFRA
SCHEMBL29793278 0.83 MAOB (0.56) MAOBALDH1A1KDM4EPDGFRBPDGFRA
SCHEMBL4398696 0.82 MAOB (0.56) MAOBALDH1A1KDM4EPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227355-B2 Quinoline derivatives and preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-03-12 US disclosed
US-20180237448-A1 NOVEL QUINOLINE DERIVATIVES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-08-23 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
CN-100537540-C Process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2009-09-09 CN disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
US-5639885-A Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1997-06-17 US disclosed
EP-0293071-B1 REDOX AMINO ACIDS AND PEPTIDES CONTAINING THEM UNIVERSITY OF FLORIDA (US) 1993-09-01 EP disclosed
US-5079366-A To derivatize pharmaceutical peptides for transport across the blood/brain barrier UNIVERSITY OF FLORIDA (US) 1992-01-07 US disclosed
US-4888427-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX SYSTEM UNIVERSITY OF FLORIDA (US) 1989-12-19 US disclosed
EP-0293071-A1 Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1988-11-30 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 (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-20180237448-A1 NOVEL QUINOLINE DERIVATIVES AND PREPARATION THEREOF ABL1, FLT3, MAP3K7 MAOB 478/4885ALDH1A1 1992/4885HPGD 1637/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET MAOB 902/4885ALDH1A1 81/4885HPGD 150/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT MAOB 1017/4885ALDH1A1 433/4885HPGD 165/4885
US-10227355-B2 Quinoline derivatives and preparation thereof ABL1, FLT3, MAP3K7 MAOB 380/4885ALDH1A1 2096/4885HPGD 1589/4885

“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.