SCHEMBL5616126

SCHEMBL5616126

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(NC(=O)NC4CCCCC4)cc3)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ ROCK2 O75116 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KIT P10721 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL5615596 0.88 ALDH1A1 (0.50) PKMALDH1A1ROCK2KDM4EHSD17B10
SCHEMBL14602334 0.83 MMP13 (0.56) SMN1; SMN2LMNAALDH1A1ROCK2KDM4E
SCHEMBL5615860 0.83 ROCK2 (0.53) SMN1; SMN2ROCK2KDM4EHSD17B10MMP13
SCHEMBL8335064 0.82 POLB (0.51) NPC1RAB9ASMN1; SMN2EPHX2LMNA
SCHEMBL14602327 0.82 NAMPT (0.53) SMN1; SMN2ROCK2KDM4EHSD17B10MMP13
SCHEMBL5616131 0.81 MMP13 (0.54) NPC1RAB9ALMNAROCK2KDM4E
SCHEMBL5616130 0.81 ROCK2 (0.52) SMN1; SMN2ROCK2KDM4EHSD17B10MMP13
SCHEMBL14602331 0.81 ROCK2 (0.52) NPC1RAB9ASMN1; SMN2ROCK2KDM4E
SCHEMBL8358822 0.81 MMP13 (0.69) RAB9ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL14602311 0.80 MMP13 (0.55) SMN1; SMN2LMNAALDH1A1ROCK2KDM4E

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 NPC1 4376/4885RAB9A 3108/4885SMN1; SMN2 2613/4885

“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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