SCHEMBL6792610

SCHEMBL6792610

CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(C(O)C3(C)NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.47
MCHR1 Q99705 2/20 0.43
CDK4 P11802 7/20 0.42
CCND1 P24385 7/20 0.42
CDK2 P24941 3/20 0.42
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
ESRRG P62508 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
TACR1 P25103 1/20 0.37

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
Benzylamine SCHEMBL6793711 0.79 MMP2 (0.39) MMP2MMP9MMP8
SCHEMBL6789361 0.79 MMP2 (0.41) MMP2MMP9MMP8
SCHEMBL6791153 0.79 MMP2 (0.41) MMP2MMP9MMP8
SCHEMBL6791227 0.79 MMP2 (0.41) MMP2MMP9MMP8
SCHEMBL6944232 0.78 ROCK2 (0.49) ROCK2ROCK1HDAC6
SCHEMBL6793526 0.78 CA12 (0.40) MMP2MMP9MMP8
SCHEMBL6793713 0.76 MMP2 (0.37) ROCK2ROCK1MMP2MMP9MMP8
SCHEMBL6793269 0.72 MEN1 (0.36) MMP2MMP9MMP8
SCHEMBL12133560 0.71 MLYCD (0.72) MLYCDMCHR1CDK4CCND1HDAC6
SCHEMBL6793095 0.71 DHODH (0.47) MMP2MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO 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 (2 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 MLYCD 2239/4885MCHR1 3380/4885CDK4 927/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MLYCD 2963/4885MCHR1 2038/4885CDK4 4094/4885

“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.