SCHEMBL4739345

SCHEMBL4739345

CCC(C)OC(=O)C(=CNc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 2/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL11201864 0.82 GAA (0.44) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL1245810 0.81 GAA (0.43) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4154250 0.81 GAA (0.43) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4147861 0.81 GAA (0.43) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL11034132 0.81 MAPT (0.35) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL7451703 0.81 SMN1; SMN2 (0.50) LMNARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6980493 0.80 MEN1 (0.53) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL6980498 0.80 MEN1 (0.53) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL395325 0.80 DHODH (0.46) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4837457 0.79 SMN1; SMN2 (0.46) MAPTLMNASMN1; SMN2KMT2AMEN1

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 6 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
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

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 MAPT 3734/4885LMNA 108/4885RAB9A 1746/4885

“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.