SCHEMBL4933834

SCHEMBL4933834

COc1cccc(C(N)=O)c1NC(=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
LTB4R Q15722 1/20 0.44
CTSD P07339 1/20 0.44
HTT P42858 1/20 0.44
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL7984986 0.88 LTB4R (0.55) CYP19A1LTB4RHTTKCNK3KCNK9
SCHEMBL17494165 0.85 CA12 (0.52) CYP19A1KCNK3KCNK9KMT2AMEN1
SCHEMBL7018503 0.84 MAPK1 (0.51) LTB4RCTSDHTTKCNK3KCNK9
SCHEMBL28066437 0.83 CTSD (0.45) LTB4RCTSDHTTKCNK3KCNK9
SCHEMBL165303 0.83 CYP19A1 (0.52) CYP19A1CTSDKCNK3KCNK9KMT2A
SCHEMBL7028467 0.82 KCNK3 (0.59) CTSDHTTKCNK3KCNK9KMT2A
SCHEMBL15775208 0.77 RAB9A (0.58) CTSDKCNK3KCNK9KMT2ALMNA
SCHEMBL7574902 0.77 TP53 (0.55) KCNK9KMT2AMEN1MAPTKDM4E
SCHEMBL167021 0.77 SMN1; SMN2 (0.57) KCNK3KCNK9KMT2AMEN1MAPT
SCHEMBL28094654 0.77 CTSD (0.45) LTB4RCTSDHTTKCNK3KCNK9

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 6 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

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 CYP19A1 118/4885LTB4R 2600/4885CTSD 858/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 CYP19A1 151/4885LTB4R 2316/4885CTSD 1679/4885

“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.