SCHEMBL6549773

SCHEMBL6549773

CCOc1c(Nc2ccccc2)c(=O)c1=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
GAA P10253 1/20 0.63
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
RAD52 P43351 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 1/20 0.44
CXCR2 P25025 9/20 0.44
SLC2A1 P11166 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL7916278 0.85 POLB (0.70) POLBGAAMAPTADAMTS5
SCHEMBL10112748 0.83 POLB (0.68) POLBGAAMAPTKMT2ANPSR1
SCHEMBL4023021 0.83 POLB (0.64) POLBGAAMAPTPLK1
SCHEMBL10131638 0.83 POLB (0.68) POLBGAAMAPTKMT2ANPSR1
SCHEMBL3635448 0.83 POLB (0.73) POLBGAAMAPTKMT2AKDM4E
SCHEMBL6646189 0.83 POLB (0.68) POLBGAAMAPTNPSR1KDM4E
SCHEMBL12262808 0.83 POLB (0.68) POLBGAAMAPTKMT2AKDM4E
SCHEMBL31155136 0.83 MAPT (0.75) POLBGAAMAPTKMT2AKDM4E
SCHEMBL7572017 0.82 POLB (0.55) POLBGAAMAPTKMT2ANPSR1
SCHEMBL7093309 0.82 POLB (0.55) POLBGAAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605621-B Hydrogen bond donor-boron organic catalyst and preparation method and application thereof 中国科学院长春应用化学研究所 2024-01-30 CN disclosed
CN-114605621-A Hydrogen bond donor-boron organic catalyst and preparation method and application thereof 中国科学院长春应用化学研究所 2022-06-10 CN disclosed
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF (US) 2019-01-31 US disclosed
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 US disclosed
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO disclosed
EP-1197485-B1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis SERVIER LAB (FR) 2004-08-11 EP disclosed
US-20040110954-A1 Methods of synthesizing phenol-contining compounds SMITHKLINE BEECHAM CORPORATION 2004-06-10 US disclosed
US-6696469-B2 FOR TREATMENT OF DISEASES OR PATHOLOGICAL CONDITIONS IN WHICH ENDOTHELIAL DYSFUNCTION IS KNOWN; ATHEROSCLEROSIS, DYSLIPIDAEMIA, DIABETES LES LABORATOIRES SERVIER (FR) 2004-02-24 US disclosed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
US-20020065419-A1 Cyclobutenedione compounds LES LABORATOIRES SERVIER (FR) 2002-05-30 US disclosed
EP-1197485-A1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis Les Laboratoires Servier (FR) 2002-04-17 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 (6 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-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT POLB 642/4885GAA 1129/4885MAPT 2532/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 POLB 296/4885GAA 1398/4885MAPT 2357/4885
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 POLB 1117/4885GAA 2580/4885MAPT 3670/4885
US-20190031695-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 POLB 1117/4885GAA 2580/4885MAPT 3670/4885
US-20020065419-A1 Cyclobutenedione compounds NR3C2, NR5A1, CYP11B1 POLB 630/4885GAA 4303/4885MAPT 3977/4885
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 POLB 1466/4885GAA 3094/4885MAPT 4643/4885

“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.