SCHEMBL4177423

SCHEMBL4177423

CCCc1cccc(N(O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
DAO P14920 1/20 0.34
IAPP P10997 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
HTR2A P28223 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32
SAE1 Q9UBE0 1/20 0.32

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
SCHEMBL9488567 0.85 GABRA1 (0.45) DAOGABRA1GABRB2ELANE
SCHEMBL30965314 0.80 HTR1A (0.40) HTR1ADAOGABRA1GABRB2PPARG
SCHEMBL3075780 0.80 HTR1A (0.40) HTR1ADAOGABRA1GABRB2PPARG
SCHEMBL2155003 0.80 GABRA1 (0.39) HTR1ADAOIAPPGABRA1GABRB2
SCHEMBL4193410 0.79 DAO (0.35) HTR1ADAOIAPPGABRA1GABRB2
SCHEMBL6420986 0.79 DAO (0.35) HTR1ADAOIAPPGABRA1GABRB2
SCHEMBL10438966 0.76 IAPP (0.44) HTR1AIAPPGABRA1GABRB2ELANE
SCHEMBL4840068 0.75 DAO (0.33) HTR1ADAOGABRA1GABRB2
SCHEMBL829785 0.74 CD44 (0.44) HTR1ADAOIAPPGABRA1GABRB2
SCHEMBL841964 0.74 GABRA1 (0.39) HTR1ADAOIAPPGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090032768-A1 WATER-SOLUBLE PHENYLENEDIAMINE COMPOSITIONS AND METHODS FOR STABILIZING ETHYLENICALLY UNSATURATED COMPOUNDS AND MONOMERS GENERAL ELECTRIC COMPANY (US) 2009-02-05 US disclosed
US-7414162-B2 For inhibiting polymerization of ethylenically unsaturated monomers; includes a water-soluble phenylenediamine composition GENERAL ELECTRIC COMPANY (US) 2008-08-19 US disclosed
US-20070187649-A1 Water-soluble phenylenediamine compositions and methods for stabilizing ethylenically unsaturated compounds and monomers GENERAL ELECTRIC COMPANY 2007-08-16 US disclosed
US-20040211702-A1 Water-soluble phenylenediamine compositions and methods for stabilizing ethylenically unsaturated compounds and monomers GENERAL ELECTRIC COMPANY 2004-10-28 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 (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-20070187649-A1 Water-soluble phenylenediamine compositions and methods for stabilizing ethylenically unsaturated compounds and monomers PNMT, EPN1, FASN HTR1A 1737/4885DAO 1125/4885IAPP 3496/4885

“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.