SCHEMBL4739348

SCHEMBL4739348

CCOC(=O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.71
DNA2 P51530 1/20 0.67
CASP6 P55212 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
KDM4E B2RXH2 2/20 0.63
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 3/20 0.53
GABRA1 P14867 3/20 0.49
GABRB2 P47870 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GABRB1 P18505 2/20 0.48
GABRA3 P34903 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL5897373 0.91 CLEC4M (0.57) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL3245558 0.83 CLEC4M (0.52) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL28287784 0.82 CLEC4M (0.82) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6537720 0.82 DNA2 (0.78) CLEC4MDNA2CASP6CTDSP1KDM4E
SCHEMBL22492440 0.81 CLEC4M (0.80) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1244789 0.81 CLEC4M (0.80) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4334739 0.81 DNA2 (1.00) DNA2CASP6CTDSP1KDM4ECYP1A2
SCHEMBL1126279 0.80 CLEC4M (0.78) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL21101401 0.80 CLEC4M (0.78) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL16341803 0.80 CLEC4M (0.78) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed
US-7009053-B2 Quinoline derivatives as caspase-3 inhibitor, preparation for producing the same and pharmaceutical composition comprising the same Yungjin Pharmaceuticals Co., Ltd. (KR) 2006-03-07 US disclosed
EP-1499593-A4 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACAUTICAL CO LTD (KR) 2006-02-01 EP disclosed
EP-1499593-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yungjin Pharmacautical Co., Ltd. (KR) 2005-01-26 EP disclosed
US-20040260094-A1 Quinoline derivatives as caspase-3 inhibitor, preparation for producing the same and pharmaceutical composition comprising the same YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2004-12-23 US disclosed
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
WO-2003093240-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2003-11-13 WO disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US 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 (1 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-20040260094-A1 Quinoline derivatives as caspase-3 inhibitor, preparation for producing the same and pharmaceutical composition comprising the same CASP1, CASP3, CASP2 CLEC4M 2773/4885DNA2 2129/4885CASP6 4/4885

“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.