SCHEMBL6479481

SCHEMBL6479481

O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)ncn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.71
MMP10 P09238 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CNR2 P34972 1/20 0.48
MAPK1 P28482 3/20 0.47
KMO O15229 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
PTGER4 P35408 1/20 0.45
WDR5 P61964 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL8357432 0.96 MMP13 (0.67) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL14448540 0.95 MMP13 (0.65) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL14256100 0.95 MMP13 (0.65) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8357429 0.94 MMP13 (0.71) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8349489 0.93 MMP13 (0.62) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8357422 0.92 MMP13 (0.61) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8348565 0.92 MMP13 (0.61) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL14284141 0.92 MMP13 (0.65) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8348424 0.91 MMP13 (0.60) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8348434 0.89 MMP13 (0.62) MMP13MMP10MMP9MMP8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933298-B2 Pyridine-2,4-dicarboxylic acid diamides and pyrimidine-4,6-dicarboxylic acid diamides and the use thereof for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-23 US disclosed
US-20030229103-A1 PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES AND THE USE THEREOF FOR SELECTIVELY INHIBITING COLLAGENASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-12-11 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 (1 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-20030229103-A1 PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES AND THE USE THEREOF FOR SELECTIVELY INHIBITING COLLAGENASES DPYD, MMP13, MMP2 MMP13 2/4885MMP10 7/4885MMP9 12/4885

“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.