SCHEMBL4785490

SCHEMBL4785490

CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1F O60840 1/20 0.43

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
SCHEMBL6537824 0.86 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6537450 0.84 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2017369 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2020438 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2021172 0.83 KMT2A (0.70) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6537393 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL11244456 0.81 MEN1 (0.68) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL6537339 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2719292 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL6289957 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E

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
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
CN-1304374-C Quinoline derivatives as caspase-3 inhibitor, preparation for producing the same and pharmaceutical composition comprising the same YUNGJIN PHARMACEUTICAL CO LTD (KR) 2007-03-14 CN 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
CN-1662505-A Quinoline derivatives useful as caspase-3 inhibitors, process for their preparation and pharmaceutical compositions containing them YUNGJIN PHARMACEUTICAL CO LTD (KR) 2005-08-31 CN 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
EP-1027351-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 2003-12-03 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-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-6200974-B1 FOR PRODUCING AN ANTI-FIBROPROLIFERATIVE EFFECT ZENECA LIMITED (GB) 2001-03-13 US disclosed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP 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
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US disclosed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 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 (2 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 KMT2A 2622/4885MEN1 3046/4885ALDH1A1 1990/4885
US-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 KMT2A 1250/4885MEN1 2187/4885ALDH1A1 425/4885

“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.