SCHEMBL687716

SCHEMBL687716

O=C(NCc1cccc(N2CCN(C(=O)Cc3n[nH]c(=O)[nH]3)CC2)c1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 1.00
MMP2 P08253 8/20 1.00
MMP10 P09238 8/20 1.00
MMP8 P22894 8/20 1.00
MMP3 P08254 4/20 1.00
MMP12 P39900 4/20 1.00
MMP9 P14780 2/20 1.00
MMP14 P50281 2/20 1.00
PARP1 P09874 2/20 0.49
POLB P06746 1/20 0.47
DRD4 P21917 1/20 0.46
MMP1 P03956 1/20 0.45
MMP7 P09237 1/20 0.45
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP2 Q9UGN5 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
SCHEMBL689092 0.89 MMP13 (0.80) MMP13MMP2MMP10MMP8MMP3
SCHEMBL689658 0.86 MMP13 (1.00) MMP13MMP2MMP10MMP8MMP3
SCHEMBL12750104 0.84 MMP13 (0.74) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4935723 0.83 MMP13 (0.70) MMP13MMP2MMP10MMP8MMP3
SCHEMBL10289432 0.83 MMP13 (0.71) MMP13MMP2MMP10MMP8MMP3
SCHEMBL12750352 0.82 MMP13 (0.70) MMP13MMP2MMP10MMP8MMP3
Hydrochloric Acid SCHEMBL689101 0.81 MMP13 (0.69) MMP13MMP2MMP10MMP8MMP3
Trifluoroacetic Acid SCHEMBL688891 0.81 MMP13 (0.68) MMP13MMP2MMP10MMP8MMP3
SCHEMBL689901 0.80 MMP13 (0.68) MMP13MMP2MMP10MMP8MMP3
SCHEMBL718391 0.80 MMP13 (1.00) MMP13MMP2MMP10MMP8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 MMP13 5/4885MMP2 1/4885MMP10 9/4885

“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.