SCHEMBL591583

SCHEMBL591583

NCCC1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR3C2 P08235 4/20 0.44
DRD4 P21917 5/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
PARP1 P09874 1/20 0.43
MMP12 P39900 1/20 0.43
GRM2 Q14416 2/20 0.41
F10 P00742 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL16179910 1.00 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591558 0.94 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591559 0.94 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591862 0.94 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL590197 0.91 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591143 0.91 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1845036 0.90 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1845035 0.90 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1711906 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1711902 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
EP-3458452-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RES INC (US) 2023-08-30 EP disclosed
EP-3458452-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RES INC (US) 2023-08-30 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents Bugworks Research, Inc. (US) 2020-07-14 US disclosed
EP-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 EP disclosed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 WO disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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 (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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY ALDH1A1 1130/4885KMT2A 3898/4885SMN1; SMN2 2745/4885
US-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS ALDH1A1 1630/4885KMT2A 3677/4885SMN1; SMN2 2935/4885
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents ALPI, HLA-A, HLA-B ALDH1A1 568/4885KMT2A 4299/4885SMN1; SMN2 3099/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 ALDH1A1 842/4885KMT2A 3563/4885SMN1; SMN2 4067/4885

“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.