SCHEMBL2967974

SCHEMBL2967974

C/C=C/CNc1ccc(NC/C=C/C)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.31
TP53 P04637 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
SCHEMBL2967975 1.00 MAPT (0.39) MAPTCA12CA1CA2CA9
SCHEMBL11325703 0.91 MAPT (0.54) MAPTCA12CA1CA2CA9
SCHEMBL11325700 0.91 MAPT (0.54) MAPTCA12CA1CA2CA9
SCHEMBL16905688 0.88 MAPT (0.44) MAPTCA12CA2CA9HTT
SCHEMBL9668035 0.88 MAPT (0.44) MAPTCA12CA2CA9HTT
SCHEMBL2350761 0.88 MAPT (0.44) MAPTCA12CA2CA9HTT
SCHEMBL14256126 0.85 GAA (0.59) MAPTCA12CA1CA2CA9
SCHEMBL20113017 0.84 CTSD (0.41) POLB
SCHEMBL9174077 0.84 CTSD (0.41) POLB
SCHEMBL14438100 0.80 POLB (0.49) MAPTGAAPOLBHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212078-B2 Making chain extenders with slower cure rates; reacting a ketone and/or aldehyde with a primary amine in the presence of an acidic ion exchange resin and hydrogenation agent; making diimine same way but excluding hydrogenation agent; e.g. N,N'-di-5-nonyl-isophoronediamine ALBEMARLE CORPORATION (US) 2012-07-03 US disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 US disclosed
US-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US disclosed
US-20080262187-A1 Blends of Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-10-23 US disclosed
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 US disclosed
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-02-07 US disclosed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 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 (6 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-20080004406-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 MAPT 1803/4885CA12 1231/4885CA1 1501/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 MAPT 2548/4885CA12 1334/4885CA1 1292/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 MAPT 1803/4885CA12 1231/4885CA1 1501/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC MAPT 3241/4885CA12 1315/4885CA1 1727/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 MAPT 2583/4885CA12 993/4885CA1 1170/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 MAPT 1803/4885CA12 1231/4885CA1 1501/4885

“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.