SCHEMBL5615648

SCHEMBL5615648

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(NC(=O)CN4CCOCC4)cc3)ncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ POLB P06746 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ KDR P35968 2/20 0.47

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) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL5615925 0.90 CHRM3 (0.51) KDM4EPOLBNPC1RAB9AMEN1
SCHEMBL5615901 0.84 LMNA (0.49) ALDH1A1POLBNPC1RAB9AMEN1
SCHEMBL4716615 0.83 CYP2C9 (0.63) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL4720513 0.82 L3MBTL1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5615595 0.82 CYP2C9 (0.56) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL14602334 0.82 MMP13 (0.56) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL5615865 0.81 MMP13 (0.51) ALDH1A1KDM4EPOLBMAPTHPGD
SCHEMBL4716344 0.80 CYP2C9 (0.69) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL4718384 0.80 L3MBTL1 (0.60) ALDH1A1KDM4EHPGDNPC1RAB9A

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 ALDH1A1 166/4885KDM4E 582/4885POLB 428/4885

“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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