SCHEMBL4718358

SCHEMBL4718358

O=C(O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CCO4)ncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.59
▸ EGLN1 Q9GZT9 1/20 0.57
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MMP13 P45452 7/20 0.52
▸ MMP10 P09238 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ AURKA O14965 2/20 0.48
▸ RPS6KB1 P23443 2/20 0.48
▸ CHRM4 P08173 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ AURKB Q96GD4 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL4718511 0.92 RAB9A (0.59) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL8358827 0.92 RAB9A (0.61) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL5615905 0.91 RAB9A (0.58) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL5615861 0.90 RAB9A (0.58) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL5615570 0.89 RAB9A (0.59) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL4717221 0.89 RAB9A (0.59) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL5615645 0.89 RAB9A (0.59) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL5615885 0.88 RAB9A (0.54) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL14602322 0.87 RAB9A (0.54) RAB9AEGLN1NPC1POLBMMP13
SCHEMBL14602325 0.86 RAB9A (0.56) RAB9AEGLN1NPC1POLBMMP13

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 5 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 disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
EP-1560815-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES Aventis Pharma Deutschland GmbH (DE) 2005-08-10 — — EP 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
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 — — 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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 RAB9A 3108/4885EGLN1 1003/4885NPC1 4376/4885

“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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