SCHEMBL4937274

SCHEMBL4937274

O=C(NCc1ccccn1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
POLB P06746 2/20 0.65
GLA P06280 1/20 0.65
ALDH1A1 P00352 8/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 9/20 0.57
MMP13 P45452 4/20 0.56
LMNA P02545 6/20 0.55
HTT P42858 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK10 P53779 1/20 0.52
HPGD P15428 2/20 0.52
ALPI P09923 1/20 0.52
MMP2 P08253 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
SCHEMBL4930061 0.84 MMP13 (0.65) POLBMMP13MMP2MMP10MMP8
SCHEMBL4935267 0.84 MMP13 (0.55) MAPTPOLBGLAALDH1A1MMP13
SCHEMBL4936750 0.82 MAPT (0.61) MAPTPOLBALDH1A1KDM4EMMP13
SCHEMBL4936756 0.80 MMP13 (0.62) MAPTMMP13SMN1; SMN2MMP2MMP10
SCHEMBL4934695 0.80 ALDH1A1 (0.64) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL28761102 0.79 MMP13 (0.57) MAPTPOLBMMP13MMP2MMP10
SCHEMBL4935373 0.79 MMP13 (0.57) MAPTPOLBALDH1A1KDM4EMMP13
SCHEMBL4932534 0.78 MMP13 (0.67) MMP13MMP2MMP10MMP8
SCHEMBL27683269 0.78 MMP13 (0.67) MMP13MMP2MMP10MMP8
SCHEMBL6157123 0.77 MAPT (0.56) MAPTALDH1A1MAPK1MMP13LMNA

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 8 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-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
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 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

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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 MAPT 4843/4885POLB 2567/4885GLA 3589/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 MAPT 4128/4885POLB 1772/4885GLA 2962/4885

“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.