SCHEMBL13595403

SCHEMBL13595403

CC(C)(C)NC(=O)CN=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL20952824 0.79 ALDH1A1 (0.39) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL29131548 0.78 CA2 (0.34) CA2CA9
SCHEMBL21538015 0.76 CA2 (0.39) CA2CA9
SCHEMBL13828918 0.76
SCHEMBL24313178 0.73 ALDH1A1 (0.40) ALDH1A1CA2HPGDPOLBMAPT
SCHEMBL14328149 0.73
SCHEMBL22032437 0.72 CYP3A4 (0.40) ALDH1A1CA2CA9MAPTLMNA
SCHEMBL22032438 0.72 CYP3A4 (0.40) ALDH1A1CA2CA9MAPTLMNA
SCHEMBL21546112 0.72
SCHEMBL3903736 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023201008-A1 COMPOSITIONS AND METHODS FOR LOCALIZED DELIVERY OF CYTOKINES FOR ADOPTIVE CELL THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-10-19 WO disclosed
US-20210284776-A1 COMPOSITIONS AND METHODS FOR LABELING AND MODULATION OF CELLS IN VITRO AND IN VIVO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-09-16 US disclosed
WO-2021155297-A1 METHODS FOR LABELING AND TARGETING CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-08-05 WO disclosed
CN-111138417-B Triazole modified 5-fluoro-2, 4-pyrimidinediamine compound and application thereof 浙江工业大学 2021-03-23 CN disclosed
CN-111138417-A Triazole modified 5-fluoro-2, 4-pyrimidinediamine compound and application thereof 浙江工业大学 2020-05-12 CN disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 US disclosed
US-8779008-B2 Polymeric micelles for drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2014-07-15 US disclosed
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2013-08-01 US disclosed
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-8367713-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-02-05 US disclosed
US-7638558-B2 drug loaded micelle of a triblock polymer tert-butylphenylsilylpropene-polyethylene glycol-b-poly(tert-butylaspartic acid-b-polyphenylalanine-copoly( tert-buyltyrosine) has a drug-loaded inner core, a crosslinked outer core, and a hydrophilic shell INTEZYNE TECHNOLOGIES, INC. (US) 2009-12-29 US disclosed
US-7618944-B2 Encapsulating in micelle which is a block copolymer containing hydrophilic and hydrophobic blocks INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-17 US disclosed
WO-2009131654-A2 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 WO disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 US disclosed
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 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 (8 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 ALDH1A1 933/4885CA2 320/4885CA9 1058/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR ALDH1A1 4688/4885CA2 2809/4885CA9 2189/4885
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 ALDH1A1 4414/4885CA2 2651/4885CA9 1750/4885
US-20210284776-A1 COMPOSITIONS AND METHODS FOR LABELING AND MODULATION OF CELLS IN VITRO AND IN VIVO CD47, LY6K, CD68 ALDH1A1 1059/4885CA2 4213/4885CA9 2626/4885
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 ALDH1A1 3079/4885CA2 3572/4885CA9 2293/4885
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 ALDH1A1 3588/4885CA2 1314/4885CA9 143/4885
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery CLTB, SLC1A5, CLTA ALDH1A1 3966/4885CA2 1865/4885CA9 2123/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 ALDH1A1 3079/4885CA2 3572/4885CA9 2293/4885

“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.