SCHEMBL5615901

SCHEMBL5615901

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(NC(=O)CN4CCCC4=O)cc3)ncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ NAMPT P43490 2/20 0.45
▸ MMP13 P45452 4/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ TP53 P04637 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 0.88 LMNA (0.51) LMNAPOLBNPC1MEN1RAB9A
SCHEMBL5615648 0.84 ALDH1A1 (0.53) LMNAPOLBNPC1MEN1RAB9A
SCHEMBL5615925 0.84 CHRM3 (0.51) LMNAPOLBNPC1MEN1RAB9A
SCHEMBL14602334 0.81 MMP13 (0.56) LMNAKMT2AUSP2NAMPTMMP13
SCHEMBL5615865 0.81 MMP13 (0.51) POLBNPC1MEN1RAB9AKMT2A
SCHEMBL8358822 0.79 MMP13 (0.69) LMNARAB9AKMT2AHTTUSP2
SCHEMBL14602311 0.78 MMP13 (0.55) LMNAKMT2ANAMPTMMP13ALDH1A1
SCHEMBL14602290 0.77 MMP13 (0.51) NPC1RAB9AKMT2ANAMPTMMP13
SCHEMBL14602336 0.77 MMP13 (0.51) KMT2AUSP2NAMPTMMP13ALDH1A1
SCHEMBL5615860 0.77 ROCK2 (0.53) NAMPTMMP13

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 LMNA 4018/4885POLB 428/4885NPC1 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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