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SCHEMBL4927684

SCHEMBL4927684

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.53
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CTSV O60911 3/20 0.48
▸ CTSL P07711 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46

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
SCHEMBL28134455 0.91 MEN1 (0.57) BACE1MAPTMEN1KMT2AMAOB
SCHEMBL8381526 0.89 L3MBTL1 (0.58) BACE1MAPTMEN1KMT2AALDH1A1
SCHEMBL12763816 0.89 MEN1 (0.56) BACE1MAPTMEN1KMT2ACTSV
SCHEMBL4936955 0.88 CTSV (0.57) BACE1MAPTMEN1KMT2ARAB9A
SCHEMBL4929920 0.86 BACE1 (0.54) BACE1MAPTMEN1KMT2ARAB9A
SCHEMBL7886556 0.85 TDP1 (0.54) BACE1KMT2ARAB9AALDH1A1LMNA
SCHEMBL28323455 0.84 RAB9A (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL5139366 0.84 BACE1 (0.54) BACE1MAPTMEN1KMT2ARAB9A
SCHEMBL20897393 0.83 CTSV (0.52) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL5064967 0.82 BACE1 (0.51) BACE1MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 — — US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 — — US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 — — EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 — — EP disclosed
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 — — US disclosed
US-7683085-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 — — US disclosed
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-07-02 — — US disclosed
US-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-04-30 — — US disclosed
US-7504424-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-03-17 — — US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 — — US disclosed
US-7482370-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-01-27 — — US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 — — US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 — — US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 — — EP disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 — — US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 — — 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 (6 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-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 BACE1 56/4885MAPT 863/4885MEN1 1626/4885
US-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 BACE1 63/4885MAPT 641/4885MEN1 1617/4885
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 BACE1 339/4885MAPT 4843/4885MEN1 3012/4885
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 BACE1 63/4885MAPT 641/4885MEN1 1617/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 BACE1 257/4885MAPT 4128/4885MEN1 3549/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 BACE1 63/4885MAPT 641/4885MEN1 1617/4885

“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.