SCHEMBL688452

SCHEMBL688452

CCOC(=O)c1nc2scc(-c3cccc(OC)c3)c2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.61
MMP2 P08253 2/20 0.61
MMP10 P09238 2/20 0.61
PKM P14618 1/20 0.56
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MMP3 P08254 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 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
SCHEMBL688002 0.90 ALDH1A1 (0.52) MMP13MMP2MMP10ALDH1A1KDM4E
SCHEMBL687183 0.88 ALDH1A1 (0.54) MMP13MMP2MMP10PKMALDH1A1
SCHEMBL689668 0.88 SIRT5 (0.53) MMP13MMP2MMP10PKMALDH1A1
SCHEMBL689090 0.87 MMP13 (0.53) MMP13MMP2MMP10ALDH1A1KDM4E
SCHEMBL4933942 0.87 ALDH1A1 (0.49) MMP13MMP2MMP10ALDH1A1KDM4E
SCHEMBL689793 0.87 MMP13 (0.62) MMP13MMP2MMP10ALDH1A1KDM4E
SCHEMBL688766 0.87 ALDH1A1 (0.57) PKMALDH1A1KDM4EMAPTLMNA
SCHEMBL688686 0.85 ALDH1A1 (0.55) PKMALDH1A1KDM4EMAPTLMNA
SCHEMBL688139 0.85 ALDH1A1 (0.49) MMP13MMP2MMP10PKMALDH1A1
SCHEMBL688481 0.83 KDM4E (0.51) MMP13MMP2MMP10ALDH1A1KDM4E

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 9 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

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.