SCHEMBL688766

SCHEMBL688766

CCOC(=O)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 5/20 0.56
LMNA P02545 5/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 5/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
TNF P01375 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51

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
SCHEMBL688686 0.98 ALDH1A1 (0.55) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL689482 0.91 KDM4E (0.57) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL689635 0.91 KDM4E (0.57) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL688002 0.90 ALDH1A1 (0.52) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL13343482 0.90 KDM4E (0.56) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL688481 0.89 KDM4E (0.51) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL688813 0.89 ALDH1A1 (0.62) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL688334 0.89 POLB (0.54) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL689505 0.89 ALDH1A1 (0.53) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL687183 0.88 ALDH1A1 (0.54) ALDH1A1MAPTPOLBKDM4ELMNA

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 ALDH1A1 423/4885MAPT 4287/4885POLB 3728/4885

“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.