SCHEMBL5335470

SCHEMBL5335470

O=C(OCc1ccccc1)c1cc(C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALOX5 P09917 2/20 0.57
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
PDE1C Q14123 1/20 0.52
NPC1 O15118 2/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL12856432 0.97 ALOX5 (0.61) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL8561986 0.96 KMT2A (0.55) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL27747363 0.93 KMT2A (0.53) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL9051523 0.93 NPC1 (0.61) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL2003642 0.90 KMT2A (0.53) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL417705 0.89 MAPT (0.60) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL2825416 0.88 MAPT (0.69) KMT2ASLC6A2SLC6A3TDP1HTT
SCHEMBL4626752 0.88 KMT2A (0.50) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL523154 0.86 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL6282770 0.85 KMT2A (0.81) KMT2ASLC6A2SLC6A3TDP1LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 US disclosed
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US disclosed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1362028-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
EP-0763026-B1 GASTRIN AND CCK ANTAGONISTS BLACK JAMES FOUNDATION (GB) 2003-03-26 EP disclosed
US-5939437-A AMIDE COMPOUNDS AS NEUROPEPTIDES AS APPETITE REGULATORS, ANXIOLYTIC ACTIVITY AND ANTICARCINOGENIC AGENTS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-17 US disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5912260-A GASTRIC ACID SECRETION JAMES BLACK FOUNDATION LIMITED (GB) 1999-06-15 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0763026-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-03-19 EP disclosed
EP-0719251-A1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-03 EP disclosed
US-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 US disclosed
WO-1995032949-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-12-07 WO disclosed
WO-1995030647-A1 CCK AND GASTRIN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1995-11-16 WO disclosed
WO-1995005359-A1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-02-23 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-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 KMT2A 3382/4885SLC6A2 575/4885SLC6A3 94/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 KMT2A 2962/4885SLC6A2 3807/4885SLC6A3 2440/4885

“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.