SCHEMBL4929920

SCHEMBL4929920

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.54
PARP10 Q53GL7 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CTSV O60911 3/20 0.49
CTSL P07711 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.46
AR P10275 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
SCHEMBL5065193 0.90 PARP10 (0.54) BACE1PARP10SIRT2MEN1KMT2A
SCHEMBL4936955 0.89 CTSV (0.57) BACE1MEN1KMT2ACTSVCTSL
SCHEMBL31230447 0.87 MAOB (0.53) PARP10MEN1KMT2AMAPTMAOB
SCHEMBL21666190 0.87 MAOB (0.53) PARP10MEN1KMT2AMAPTMAOB
SCHEMBL4927684 0.86 BACE1 (0.53) BACE1MEN1KMT2ACTSVCTSL
SCHEMBL12763816 0.85 MEN1 (0.56) BACE1MEN1KMT2ACTSVCTSL
SCHEMBL5139366 0.85 BACE1 (0.54) BACE1MEN1KMT2ACTSVCTSL
SCHEMBL5064967 0.84 BACE1 (0.51) BACE1MEN1KMT2ACTSVCTSL
SCHEMBL28134455 0.83 MEN1 (0.57) BACE1MEN1KMT2AMAPTMAOB
SCHEMBL7136744 0.83 MAOB (0.51) BACE1MEN1KMT2ACTSVCTSL

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 15 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-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 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
CN-1976907-A Heterocyclic amide compound and use thereof as an MMP-13 inhibitor TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN 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
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP 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
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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 (3 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 BACE1 4389/4885PARP10 1370/4885SIRT2 820/4885
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 BACE1 339/4885PARP10 1019/4885SIRT2 364/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 BACE1 257/4885PARP10 1157/4885SIRT2 163/4885

“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.