SCHEMBL7967349

SCHEMBL7967349

C=CC1(C)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
MMP9 P14780 2/20 0.31
CACNA1F O60840 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
SCN1A P35498 1/20 0.30
SCN4A P35499 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CACNA1D Q01668 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 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
SCHEMBL6920162 0.78 LMNA (0.32) LMNAMMP9CACNA1FALDH1A1MAPT
SCHEMBL1132696 0.76 LMNA (0.32) LMNAMMP9CACNA1FALDH1A1MAPT
Butadiene SCHEMBL1304779 0.71 GAA (0.32) GAAHPGDMAPK1LMNAMMP9
SCHEMBL11107818 0.70 GAA (0.37) GAAHPGDMAPK1CACNA1FALDH1A1
SCHEMBL7966076 0.70 GAA (0.30) GAAHPGDMAPK1
Formaldehyde SCHEMBL1396256 0.67 LMNA (0.35) LMNAMMP9CACNA1FALDH1A1MAPT
SCHEMBL11085221 0.67
SCHEMBL22069 0.66
SCHEMBL4558728 0.66 LMNA (0.38) LMNAMMP9CACNA1FALDH1A1MAPT
SCHEMBL20189247 0.64 SMN1; SMN2 (0.44) GAAHPGDMAPK1MMP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294185-B1 STABLE, INSOLUBLE BIOCIDES WHICH RELEASE ONLY SMALL AMOUNTS OF FREE HALOGEN,DISINFECTANTS AUBURN UNIVERSITY 2001-09-25 US claimed
WO-1996008949-A2 NOVEL MONOMERIC AND POLYMERIC CYCLIC AMINE AND N-HALAMINE COMPOUNDS AUBURN UNIVERSITY (US) 1996-03-28 WO claimed
US-20170240435-A1 POLYMERIC HYBRID PARTICLE CONTAINING NANO PARTICLES AND USES HALOSOURCE, INC. (US) 2017-08-24 US disclosed
EP-3206496-A1 POLYMERIC HYBRID PARTICLE CONTAINING NANO PARTICLES AND USES Halosource, Inc. (US) 2017-08-23 EP disclosed
WO-2016061265-A1 POLYMERIC HYBRID PARTICLE CONTAINING NANO PARTICLES AND USES HALOSOURCE, INC. (US) 2016-04-21 WO disclosed
US-6294185-B1 STABLE, INSOLUBLE BIOCIDES WHICH RELEASE ONLY SMALL AMOUNTS OF FREE HALOGEN,DISINFECTANTS AUBURN UNIVERSITY 2001-09-25 US disclosed
US-6020491-A Monomeric and polymeric cyclic amine and N-halamine compounds AUBURN UNIVERSITY (US) 2000-02-01 US disclosed
US-5889130-A DEPOLYMERIZING OF POLY-4-VINYLACETOPHENONE FORMING 4-VINYLPHENYL(HYDANTOIN OR TRIAZINE); POLYMERIZING AUBURN UNIVERSITY (US) 1999-03-30 US disclosed
US-5808089-A BIOCIDES AUBURN UNIVERSITY (US) 1998-09-15 US disclosed
US-5670646-A HEATING POLYVINYLACETOPHENONE UNDER VACUUM TO CRACK IT TO CORRESPONDING MONOMER, CONVERTING ACETO MOIETY TO HYDANTOIN OR TRIAZINE-2,4-DIONE AUBURN UNIVERSITY (US) 1997-09-23 US disclosed
WO-1996008949-A2 NOVEL MONOMERIC AND POLYMERIC CYCLIC AMINE AND N-HALAMINE COMPOUNDS AUBURN UNIVERSITY (US) 1996-03-28 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-20170240435-A1 POLYMERIC HYBRID PARTICLE CONTAINING NANO PARTICLES AND USES DNMT1, DNMT3A, PUF60 GAA 3171/4885HPGD 3914/4885MAPK1 4604/4885

“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.