SCHEMBL6727465

SCHEMBL6727465

O=C(OCc1ncn[nH]1)c1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 3/20 0.37
HTT P42858 2/20 0.37
PSMD14 O00487 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PDE1B Q01064 2/20 0.35
PLK4 O00444 1/20 0.35

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
SCHEMBL6258644 0.86 MMP13 (0.54) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6471550 0.85 KDM4E (0.41) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6259959 0.83 MMP13 (0.49) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL7035438 0.83 MMP13 (0.41) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6532276 0.83 MAPT (0.45) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6471846 0.81 MMP13 (0.42) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6529246 0.81 MMP13 (0.42) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6736336 0.81 MMP13 (0.43) MMP13KDM4EALDH1A1KMT2AMEN1
SCHEMBL6513715 0.81 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL6252407 0.81 MMP13 (0.45) MMP13KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885KDM4E 1577/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885KDM4E 476/4885ALDH1A1 1764/4885

“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.