SCHEMBL2829177

SCHEMBL2829177

CCOC(=O)c1ncsc1Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
ILK Q13418 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 7/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP3 P42574 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 2/20 0.45

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
SCHEMBL2828184 0.87 MAPT (0.44) KDM4EALDH1A1LMNAILKPOLB
SCHEMBL2827894 0.86 ILK (0.66) KDM4EALDH1A1LMNAILKMAPT
SCHEMBL2827633 0.85 HTT (0.53) KDM4EALDH1A1ILKPOLBMAPT
SCHEMBL2828951 0.83 TSHR (0.50) KDM4EALDH1A1LMNAILKPOLB
SCHEMBL2829714 0.81 KDM4E (0.44) KDM4EALDH1A1LMNAILKPOLB
SCHEMBL22609328 0.81 ILK (0.77) KDM4EALDH1A1LMNAILKPOLB
SCHEMBL2829301 0.81 NLRP3 (0.44) KDM4EALDH1A1LMNAILKMAPT
SCHEMBL2825669 0.80 TSHR (0.44) KDM4EALDH1A1LMNAILKMAPT
SCHEMBL2825604 0.80 SMN1; SMN2 (0.47) KDM4EALDH1A1LMNAILKPOLB
SCHEMBL28824571 0.80 KDM4E (0.68) KDM4EALDH1A1LMNAILKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
CN-102816175-B A kind of heterocycle pyridine compounds, its intermediate, preparation method and purposes SHANGHAI HUILUN TECHNOLOGY CO., LTD. (CN) 2015-12-16 CN disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
WO-2012167600-A1 A HETEROCYCLIC [B]PYRIDONE COMPOUND, INTERMEDIATES THEREOF, METHOD OF PREPARATION AND USES 上海汇伦生命科技有限公司 (CN) 2012-12-13 WO disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (2 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 KDM4E 1059/4885ALDH1A1 913/4885LMNA 4795/4885
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF MET, PDXK, FLT3 KDM4E 1061/4885ALDH1A1 1160/4885LMNA 1971/4885

“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.