SCHEMBL408819

SCHEMBL408819

COC(=O)c1cn(-c2ccccc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 1.00
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
LMNA P02545 2/20 0.71
KMT2A Q03164 11/20 0.62
MEN1 O00255 5/20 0.62
THRB P10828 1/20 0.61
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL30309428 0.90 NR4A2 (0.81) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL28345593 0.90 NR4A2 (0.81) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL19407224 0.88 NR4A2 (0.79) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL15420904 0.88 NR4A2 (0.79) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL25307454 0.88 NR4A2 (0.79) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL25238096 0.86 NR4A2 (0.75) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL31083779 0.86 NR4A2 (0.74) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL28791276 0.85 NR4A2 (0.74) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL15557161 0.84 NR4A2 (0.72) NR4A2KDM4EALDH1A1LMNAKMT2A
SCHEMBL28806864 0.84 NR4A2 (0.72) NR4A2KDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 US disclosed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 US disclosed
EP-2875012-A1 5HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-05-27 EP disclosed
WO-2014014962-A1 5HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 WO disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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 (4 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B NR4A2 1291/4885KDM4E 3782/4885ALDH1A1 1649/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B NR4A2 1291/4885KDM4E 3782/4885ALDH1A1 1649/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1103/4885KDM4E 3871/4885ALDH1A1 1516/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NR4A2 1041/4885KDM4E 2452/4885ALDH1A1 272/4885

“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.