SCHEMBL8997016

SCHEMBL8997016

CCN(CC)CCCNCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.57
MAPT P10636 9/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL12515299 0.92 KAT2B (0.56) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL9000136 0.87 KAT2B (0.57) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL14960116 0.87 KAT2B (0.59) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL8985609 0.86 KAT2B (0.57) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL12514853 0.83 SMN1; SMN2 (0.48) KAT2BMAPTALDH1A1SMN1; SMN2PRMT5
SCHEMBL11720943 0.83 KAT2B (0.61) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL9001881 0.81 KAT2B (0.55) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL6198859 0.78 KAT2B (0.80) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL7973853 0.78 KAT2B (0.66) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL8654854 0.78 KAT2B (0.66) KAT2BMAPTALDH1A1HTTNPC1

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-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 US disclosed
US-8932370-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2015-01-13 US disclosed
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-11-06 US disclosed
US-8758451-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2014-06-24 US disclosed
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-01-16 US disclosed
US-8444715-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2013-05-21 US disclosed
US-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed
WO-2011084803-A2 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-07-14 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 (4 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-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885MAPT 2715/4885ALDH1A1 192/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885MAPT 2715/4885ALDH1A1 192/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885MAPT 2715/4885ALDH1A1 192/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885MAPT 2715/4885ALDH1A1 192/4885

“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.