SCHEMBL4718384

SCHEMBL4718384

COc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)ncn2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MMP13 P45452 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ THRB P10828 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ AURKA O14965 1/20 0.47

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
SCHEMBL4720513 0.94 L3MBTL1 (0.53) L3MBTL1MMP13ALDH1A1SMN1; SMN2THRB
SCHEMBL4716344 0.86 CYP2C9 (0.69) L3MBTL1MMP13ALDH1A1TP53LMNA
SCHEMBL4717082 0.83 KMT2A (0.53) MMP13ALDH1A1NPC1MEN1KMT2A
SCHEMBL8358822 0.83 MMP13 (0.69) MMP13ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5615873 0.83 MMP13 (0.51) MMP13ALDH1A1KMT2ALMNAROCK2
SCHEMBL4719433 0.83 MMP13 (0.51) MMP13ALDH1A1MEN1KMT2ALMNA
SCHEMBL5616125 0.82 MMP13 (0.50) MMP13ALDH1A1TP53ROCK2KDM4E
SCHEMBL4716615 0.81 CYP2C9 (0.63) MMP13ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL5615617 0.81 ROCK2 (0.53) MMP13ALDH1A1SMN1; SMN2LMNAROCK2
SCHEMBL5615595 0.80 CYP2C9 (0.56) MMP13ALDH1A1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 — — EP claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US claimed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — US claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — 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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 L3MBTL1 4176/4885MMP13 1/4885ALDH1A1 166/4885

“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.

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