Sugi Predict

Sugi Predict / Compounds / SCHEMBL2921634

SCHEMBL2921634

SCHEMBL2921634

O=C(O)COc1ccc(Br)nc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ MAPT P10636 7/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PTGDR2 Q9Y5Y4 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ S1PR4 O95977 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43

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
SCHEMBL2921638 1.00 ALDH1A1 (0.47) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL3829294 0.93 MAPT (0.44) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL3829304 0.93 MAPT (0.44) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL3829296 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL15529186 0.85 ALDH1A1 (0.47) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL3072548 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL30253292 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL1812248 0.79 S1PR4 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2673898 0.78 NPC1 (0.60) ALDH1A1MAPTHTTNPSR1MEN1
SCHEMBL1810729 0.78 S1PR4 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776431-B1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-04 — — EP disclosed
US-9079922-B2 2-oxo-oxazolidin-3,5-diyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2015-07-14 — — US disclosed
US-20150051188-A1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-02-19 — — US disclosed
EP-2776431-A1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-09-17 — — EP disclosed
WO-2014024056-A1 PYRROLIDINE DERIVATIVES WITH ANTIBACTERIAL PROPERTIES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-13 — — WO disclosed
WO-2013068948-A1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 — — WO disclosed
EP-1781669-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-13 — — EP disclosed
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 — — EP disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 — — US disclosed
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 — — EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 — — WO disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 — — WO disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 — — WO disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 — — EP disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 — — WO disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 — — WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 — — WO disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 — — EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 — — WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 — — 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 (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-20150051188-A1 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES OXA1L, PYM1, MRPL21 ALDH1A1 1390/4885MAPT 4794/4885HTT 4314/4885

“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.