SCHEMBL3462691

SCHEMBL3462691

O=C(NCCC(O)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
HTT P42858 1/20 0.48
FOLH1 Q04609 2/20 0.48
GAA P10253 1/20 0.47
DPP8 Q6V1X1 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KAT2B Q92831 1/20 0.44
TGM2 P21980 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.43
DPP9 Q86TI2 1/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
IDO1 P14902 1/20 0.43
MAPT P10636 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
SCHEMBL2138925 1.00 LMNA (0.50) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL11291906 1.00 LMNA (0.50) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL11294170 0.93 HTT (0.52) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL11310616 0.93 HTT (0.52) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL11048769 0.93 HTT (0.52) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL8897257 0.88 LMNA (0.46) LMNASMN1; SMN2HTTFOLH1GAA
SCHEMBL11294755 0.88 LMNA (0.46) LMNASMN1; SMN2HTTFOLH1GAA
SCHEMBL8897264 0.88 LMNA (0.46) LMNASMN1; SMN2HTTFOLH1GAA
SCHEMBL8209334 0.85 HTT (0.53) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL794883 0.85 LMNA (0.51) LMNASMN1; SMN2SLC1A3SLC1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048613-B1 4-0-SUBSTITUTED -2-DEOXYSTREPTAMINE AMINOGLYCOSIDE DERIVATIVES, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1985-01-23 EP claimed
US-4424345-A 1-N-Acylated and 1-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides and process ELI LILLY AND COMPANY (US) 1984-01-03 US claimed
US-4424344-A 2-N-Acylated and 2-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides and process ELI LILLY AND COMPANY (US) 1984-01-03 US claimed
EP-0048614-A1 1-N-acylated and 1-N-alkylated derivatives of 4-0-substituted -2-deoxystreptamine aminoglycosides ELI LILLY AND COMPANY (US) 1982-03-31 EP claimed
US-4136254-A PROCESS OF SELECTIVELY BLOCKING AMINO FUNCTIONS IN AMINOGLYCOSIDES USING TRANSITION METAL SALTS AND INTERMEDIATES USED THEREBY SCHERING CORPORATION (US) 1979-01-23 US claimed
US-7759482-B2 Aminoglycosides as antibiotics WAYNE STATE UNIVERSITY (US) 2010-07-20 US disclosed
US-20070203081-A1 AMINOGLYCOSIDES AS ANTIBIOTICS WAYNE STATE UNIVERSITY 2007-08-30 US disclosed
US-7220727-B2 For therapy of bacterial infection in a mammal WAYNE STATE UNIVERSITY (US) 2007-05-22 US disclosed
US-20050171035-A1 For therapy of bacterial infection in a mammal WAYNE STATE UNIVERSITY 2005-08-04 US disclosed
WO-2002057281-A2 AMINOGLYCOSIDES AS ANTIBIOTICS WAYNE STATE UNIVERSITY (US) 2002-07-25 WO disclosed
EP-0185323-B1 2',3'-DIDEOXY-2'-FLUOROKANAMYCIN A AND 1-N-(ALPHA-HYDROXY-OMEGA-AMINOALKANOYL) DERIVATIVES THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-08-24 EP disclosed
US-4661474-A ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-04-28 US disclosed
EP-0000473-A1 Process for preparing aminoglycoside derivatives, novel derivatives obtained and pharmaceutical compositions containing such derivatives Technobiotic Ltd. (CH) 1979-02-07 EP disclosed
US-4136254-A PROCESS OF SELECTIVELY BLOCKING AMINO FUNCTIONS IN AMINOGLYCOSIDES USING TRANSITION METAL SALTS AND INTERMEDIATES USED THEREBY SCHERING CORPORATION (US) 1979-01-23 US disclosed
US-4053591-A 5-DEOXY-4,6-DI-O-(AMINOGLYCOSYL)-1,3-DIAMINOCYCLITOLS, METHODS FOR THEIR MANUFACTURE, METHOD FOR THEIR USE AS ANTIBACTERIAL AGENTS AND COMPOSITIONS USEFUL THEREFOR SCHERING CORPORATION (US) 1977-10-11 US disclosed
US-4029882-A BACTERICIDES SCHERING CORPORATION (US) 1977-06-14 US disclosed
US-4002742-A 1-N-alkyl-4,6-di-(aminoglycosyl)-1,3-diaminocyclitols, methods for their manufacture, methods for their use as antibacterial agents, and compositions useful therefor SCHERING CORPORATION (US) 1977-01-11 US disclosed
US-4000261-A 5-EPI-4,6-DI-O-(AMINOGLYCOSYL)-2-DEOXYSTREPTAMINES, METHODS FOR THEIR MANUFACTURE AND INTERMEDIATES USEFUL THEREIN, METHODS FOR THEIR USE AS ANTIBACTERIAL AGENTS AND COMPOSITIONS USEFUL THEREFOR SCHERING CORPORATION (US) 1976-12-28 US disclosed
US-4000262-A 5-EPI-AMINO AND 5-EPI-AZIDO-4,6-DI-O-(AMINOGLYCOSYL)-2,5-DIDEOXYSTREPTAMINES 1-N-ALKYL-5-EPI-AMINO AND 1-N-ALKYL-5-EPI-AZIDO-4,6-DI-O-(AMINOGLYCOSYL)-2,5-DIDEOXYSTREPTAMINES SCHERING CORPORATION (US) 1976-12-28 US disclosed
US-3974137-A ANTIBACTERIAL, ALDEHYDE BLOCKING AGENT BRISTOL-MYERS COMPANY (US) 1976-08-10 US 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-20050171035-A1 For therapy of bacterial infection in a mammal PIGS, BPGM, NPEPPS LMNA 1655/4885SMN1; SMN2 4637/4885SLC1A3 1166/4885
US-20070203081-A1 AMINOGLYCOSIDES AS ANTIBIOTICS PIGS, ALG8, NPEPPS LMNA 801/4885SMN1; SMN2 3844/4885SLC1A3 2139/4885

“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.