SCHEMBL6705933

SCHEMBL6705933

CN1C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)Cc2cc(C#CCc3ccc(Cl)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PTGS2 P35354 5/20 0.37
PTGS1 P23219 2/20 0.36
PKM P14618 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTR6 P50406 2/20 0.35
CCR2 P41597 1/20 0.35
PKLR P30613 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARG Q86W56 1/20 0.34
MMP13 P45452 1/20 0.34
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5697101 0.92 MMP13 (0.41) PKMCCR2PRMT5WDR77MMP13
SCHEMBL6706048 0.91 MMP13 (0.37) PTGS2PKMHTR6CCR2PKLR
SCHEMBL6706896 0.91 CYP3A4 (0.36) PKMPKLRPRMT5WDR77PARG
SCHEMBL6706809 0.88 MMP13 (0.42) PTGDR2MMP13DRD3KCNH2
SCHEMBL6917143 0.86 DRD3 (0.33) POLBMMP13DRD3KCNH2
SCHEMBL6708293 0.84 PKM (0.38) PKMPRMT5WDR77KDM4EMMP13
SCHEMBL6704758 0.82 GRM5 (0.44) MMP13DRD3KCNH2
SCHEMBL6706938 0.81 MMP13 (0.41) PKMPKLRMMP13
SCHEMBL6706842 0.79 MMP13 (0.48) PRMT5WDR77MMP13
SCHEMBL6915307 0.78 MMP13 (0.39) MMP13DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US claimed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 POLB 1091/4885PTGS2 261/4885PTGS1 189/4885

“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.