SCHEMBL3704375

SCHEMBL3704375

CNCC(O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
HIF1A Q16665 5/20 0.68
BLM P54132 4/20 0.68
ALDH1A1 P00352 2/20 0.68
HTR1A P08908 2/20 0.68
THPO P40225 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NMUR2 Q9GZQ4 1/20 0.68
CYP2C9 P11712 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
SLC6A2 P23975 5/20 0.57
SLC6A4 P31645 4/20 0.57
SLC6A3 Q01959 2/20 0.57
ADRB2 P07550 4/20 0.56
MAPT P10636 3/20 0.56
ADRB1 P08588 3/20 0.56
ADRA2A P08913 3/20 0.56
ADRB3 P13945 3/20 0.56
ADRA2B P18089 3/20 0.56

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
SCHEMBL2295214 1.00 KDM4E (0.68) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL2298192 1.00 KDM4E (0.68) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL146500 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL5847942 0.81 KDM4E (0.70) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL17726874 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL12101294 0.81 KDM4E (0.70) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL2283013 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
Oxedrine SCHEMBL28287981 0.81 KDM4E (1.00) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL22957651 0.80 GAA (0.56) KDM4ETDP1HIF1ABLMALDH1A1
SCHEMBL19399097 0.80 GAA (0.56) KDM4ETDP1HIF1ABLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
EP-1457488-B1 Intermediates for use in the preparation of urea compounds having muscarinic receptor antagonist activity THERAVANCE INC (US) 2009-08-12 EP disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
US-7238709-B2 Therapeutic carbamates THERAVANCE, INC. (US) 2007-07-03 US disclosed
US-7238709-B2 Therapeutic carbamates THERAVANCE, INC. (US) 2007-07-03 US disclosed
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
US-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; 2004-02-12 US disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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 (3 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-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof PTGS1, PTGS2, PTGER1 KDM4E 1122/4885TDP1 3067/4885HIF1A 719/4885
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 KDM4E 4725/4885TDP1 1476/4885HIF1A 1543/4885
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 KDM4E 42/4885TDP1 1612/4885HIF1A 1232/4885

“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.