SCHEMBL4715686

SCHEMBL4715686

O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CCO4)ncn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ EGLN1 Q9GZT9 1/20 0.51
▸ MET P08581 4/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ CD274 Q9NZQ7 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SUV39H1 O43463 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42

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
SCHEMBL4719592 0.94 MET (0.54) HPGDRAB9AEGLN1METNAMPT
SCHEMBL4719943 0.89 RAB9A (0.50) RAB9AEGLN1METCD274ALDH1A1
SCHEMBL5615645 0.88 RAB9A (0.59) HPGDRAB9AEGLN1METALDH1A1
SCHEMBL5617747 0.86 MMP13 (0.47) RAB9AEGLN1NPC1POLBAURKA
SCHEMBL4717221 0.84 RAB9A (0.59) HPGDRAB9AEGLN1NAMPTALDH1A1
SCHEMBL5615905 0.84 RAB9A (0.58) HPGDRAB9AEGLN1ALDH1A1NPC1
SCHEMBL8358827 0.84 RAB9A (0.61) HPGDRAB9AEGLN1ALDH1A1NPC1
SCHEMBL5615861 0.83 RAB9A (0.58) HPGDRAB9AEGLN1ALDH1A1NPC1
SCHEMBL4718358 0.83 RAB9A (0.59) HPGDRAB9AEGLN1ALDH1A1NPC1
SCHEMBL4719940 0.82 RAB9A (0.54) HPGDRAB9AEGLN1METNAMPT

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 6 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

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 HPGD 164/4885RAB9A 3108/4885EGLN1 1003/4885

“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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