SCHEMBL1010403

SCHEMBL1010403

CCCCCCN1CN(N)C=N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
TBXAS1 P24557 1/20 0.35
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
TLR8 Q9NR97 3/20 0.33
MGLL Q99685 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33
GUSB P08236 2/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDR P35968 2/20 0.31

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
SCHEMBL1011627 0.94 GNAI3 (0.33) GNAI3GNAO1GNAI1TLR8
SCHEMBL28252922 0.92 GNAI3 (0.32) GNAI3GNAO1GNAI1TLR8ALDH1A1
Bromide SCHEMBL28223416 0.92 GNAI3 (0.32) GNAI3GNAO1GNAI1TLR8ALDH1A1
SCHEMBL16667540 0.80 TBXAS1 (0.33) GNAI3GNAO1GNAI1TBXAS1PTGS1
SCHEMBL27548581 0.67 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1PTGS1
SCHEMBL27465544 0.67 GNAI3 (0.37) GNAI3GNAO1GNAI1TBXAS1PTGS1
SCHEMBL5352409 0.62 GNAI3 (0.54) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL6382988 0.62 GNAI3 (0.54) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL28953723 0.62 GNAI3 (0.54) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL11059811 0.62 GNAI3 (0.54) GNAI3GNAO1GNAI1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP claimed
CN-101336225-B Alkylation of n' -phenyl-n-alkylphenylenediamines in ionic liquid, n' -phenyl-n-alkyl(alkylphenylene) diamines produced thereby, and lubricant compositions containing same CHEMTURA CORP 2012-02-29 CN claimed
CN-101336224-B Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORP 2011-09-14 CN claimed
EP-1963253-B1 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORP (US) 2011-01-05 EP claimed
EP-1960344-B1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORP (US) 2010-09-29 EP claimed
US-7563929-B2 Alkylation of N′-phenyl-N-alkylphenylenediamines in ionic liquid and N′-phenyl-N-alkyl(alkylphenylene) diamines produced thereby CHEMTURA CORPORATION (US) 2009-07-21 US claimed
US-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORPORATION (US) 2008-09-25 US claimed
US-7378554-B2 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORPORATION (US) 2008-05-27 US claimed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
US-20070135656-A1 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
US-7145038-B1 Alkylation of a diphenylamine compound in ionic liquid CHEMTURA CORPORATION (US) 2006-12-05 US claimed
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP disclosed
CN-101336225-B Alkylation of n' -phenyl-n-alkylphenylenediamines in ionic liquid, n' -phenyl-n-alkyl(alkylphenylene) diamines produced thereby, and lubricant compositions containing same CHEMTURA CORP 2012-02-29 CN disclosed
EP-1963253-B1 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORP (US) 2011-01-05 EP disclosed
EP-1960344-B1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORP (US) 2010-09-29 EP disclosed
US-7390928-B2 Alkylation of N′-phenyl-N-alkylphenylenediamines in ionic liquid, N′-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same CHEMTURA CORPORATION (US) 2008-06-24 US disclosed
US-7378554-B2 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORPORATION (US) 2008-05-27 US disclosed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US disclosed
US-20070135656-A1 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts LANXESS SOLUTIONS US INC. 2007-06-14 US disclosed
US-7145038-B1 Alkylation of a diphenylamine compound in ionic liquid CHEMTURA CORPORATION (US) 2006-12-05 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-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY PNMT, PNN, INMT GNAI3 1554/4885GNAO1 1486/4885GNAI1 1259/4885
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same NAPEPLD, PNN, ACR GNAI3 2663/4885GNAO1 2329/4885GNAI1 1905/4885

“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.