SCHEMBL4475387

SCHEMBL4475387

COc1ccc(CC(C)=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 3/20 0.48
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ACACB O00763 2/20 0.46
MET P08581 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MLLT1 Q03111 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
DAO P14920 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL2491663 0.86 GABRP (0.56) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL29589262 0.86 GABRP (0.56) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL2371616 0.84 NNMT (0.57) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL30195950 0.84 NPC1 (0.51) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL31353398 0.84 ALDH1A1 (0.51) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL29590839 0.84 NNMT (0.57) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL2492499 0.84 NPC1 (0.51) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL9446822 0.83 ACACB (0.50) KMT2AMEN1NPC1LMNAPKM
Hydrazine SCHEMBL4704048 0.83 GABRP (0.57) NNMTKMT2AMEN1NPC1LMNA
Hydrochloric Acid SCHEMBL29629381 0.83 NNMT (0.56) NNMTKMT2AMEN1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
WO-2020200316-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-10-08 WO disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed
US-5216170-A Promoters of livestock; treatment of obesity BAYER AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
US-5028617-A Heteroarylethanol-pyridylalkylamines for controlling animal growth BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0379928-A2 Aryl- and heteroarylethanol-pyridylalkylamines, process for their preparation and their use as performance stimulators by animals and as anti-adipositas agent BAYER AG (DE) 1990-08-01 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 (3 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-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B NNMT 12/4885KMT2A 436/4885MEN1 525/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 NNMT 1107/4885KMT2A 2261/4885MEN1 3706/4885
US-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP NNMT 683/4885KMT2A 3141/4885MEN1 1088/4885

“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.