SCHEMBL5615925

SCHEMBL5615925

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(NC(=O)CN4CCNCC4)cc3)ncn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.51
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GFER P55789 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ NAMPT P43490 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MMP13 P45452 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ FPR1 P21462 1/20 0.44
▸ FPR2 P25090 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
SCHEMBL5615877 0.92 LMNA (0.51) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL5615648 0.90 ALDH1A1 (0.53) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL5615901 0.84 LMNA (0.49) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL14602334 0.82 MMP13 (0.56) KMT2AUSP2NAMPTLMNAMMP13
SCHEMBL5615865 0.81 MMP13 (0.51) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL8358822 0.79 MMP13 (0.69) RAB9AKMT2AUSP2LMNAMMP13
SCHEMBL14602311 0.78 MMP13 (0.55) KMT2ANAMPTLMNAMMP13SMN1; SMN2
SCHEMBL5615860 0.78 ROCK2 (0.53) NAMPTMMP13SMN1; SMN2KDM4EHSD17B10
SCHEMBL14602336 0.78 MMP13 (0.51) KMT2AUSP2NAMPTMMP13SMN1; SMN2
SCHEMBL14602290 0.78 MMP13 (0.51) NPC1RAB9AKMT2ANAMPTMMP13

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
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 CHRM3 4629/4885POLB 428/4885MEN1 4285/4885

“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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