SCHEMBL4932626

SCHEMBL4932626

CSc1cccc(CNC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LIPG Q9Y5X9 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AOC3 Q16853 2/20 0.45

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
SCHEMBL2053212 0.87 MAPT (0.62) MAPTALDH1A1KMT2AMEN1LIPG
SCHEMBL25780412 0.83 MAPT (0.58) MAPTALDH1A1KMT2AMEN1LIPG
SCHEMBL24829421 0.82 ERCC1 (0.60) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8059189 0.82 CYP1A2 (0.68) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL25780180 0.81 MAPT (0.53) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL14281833 0.81 MAPT (0.53) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL8279025 0.79 MAPT (0.54) MAPTALDH1A1KMT2AMEN1LIPG
SCHEMBL29260504 0.79 MAPT (0.59) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1684294 0.79 MMP13 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL4341722 0.77 CYP1A2 (0.58) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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 MAPT 4843/4885ALDH1A1 1554/4885CYP1A2 214/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 MAPT 4128/4885ALDH1A1 1042/4885CYP1A2 102/4885

“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.