SCHEMBL7453064

SCHEMBL7453064

CNC(=O)[C@@H](CC(=O)NO)n1ccc(-c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 2/20 0.43
HDAC1 Q13547 7/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC3 O15379 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC4 P56524 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
MMP12 P39900 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
MMP1 P03956 2/20 0.36
FCER2 P06734 1/20 0.36
MMP3 P08254 2/20 0.35
MMP14 P50281 1/20 0.34

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
SCHEMBL7453056 1.00 MMP2 (0.43) MMP2MMP9MMP8HDAC1HDAC8
SCHEMBL7461599 0.88 MMP12 (0.41) MMP9MMP8HDAC1HDAC8HDAC6
SCHEMBL7461595 0.88 MMP12 (0.41) MMP9MMP8HDAC1HDAC8HDAC6
SCHEMBL6278607 0.84 HDAC8 (0.36) MMP2MMP9MMP8HDAC1HDAC8
SCHEMBL7454159 0.79 MMP2 (0.43) MMP2MMP1MMP3
SCHEMBL7454170 0.79 MMP2 (0.43) MMP2MMP1MMP3
SCHEMBL7457294 0.79 POLB (0.42) MMP9HDAC8AAK1MMP1ROCK2
SCHEMBL7607153 0.79 POLB (0.42) MMP9HDAC8AAK1MMP1ROCK2
SCHEMBL7610068 0.78 MMP2 (0.43) MMP2MMP1MMP3
SCHEMBL7451029 0.78 MMP2 (0.43) MMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US claimed
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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 (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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 MMP2 2/4885MMP9 1/4885MMP8 19/4885

“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.