SCHEMBL4129007

SCHEMBL4129007

O=C(O)NC1CCC(Nc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.58
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DCTPP1 Q9H773 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
SCHEMBL4129005 1.00 HCAR3 (0.58) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL4129011 1.00 HCAR3 (0.58) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL718625 0.88 MAPK1 (0.65) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL29796313 0.87 ALDH1A1 (0.54) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL28497372 0.86 MAPT (0.62) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL28497373 0.86 MAPT (0.62) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL22725450 0.84 MAPK1 (0.58) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL22725465 0.84 MAPK1 (0.58) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL8724028 0.84 MAPK1 (0.61) HCAR3MAPK1ALDH1A1GAAL3MBTL1
SCHEMBL29065575 0.84 MAPK1 (0.58) HCAR3MAPK1ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 US disclosed
EP-1778231-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
US-20080096861-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 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-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 HCAR3 3841/4885MAPK1 1337/4885ALDH1A1 1646/4885
US-20080096861-A1 Chemical Compounds CCR5, CXCR4, CXCR3 HCAR3 104/4885MAPK1 731/4885ALDH1A1 2253/4885

“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.