SCHEMBL9000136

SCHEMBL9000136

O=[N+]([O-])c1ccccc1NCCNCCCN(CCO)CCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.57
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9001881 0.94 KAT2B (0.55) KAT2BNPC1RAB9AALDH1A1TSHR
SCHEMBL8997016 0.87 KAT2B (0.57) KAT2BNPC1RAB9AALDH1A1MAPT
SCHEMBL14960116 0.84 KAT2B (0.59) KAT2BNPC1RAB9AALDH1A1MAPT
SCHEMBL8654854 0.84 KAT2B (0.66) KAT2BNPC1RAB9AALDH1A1MAPT
SCHEMBL9000222 0.83 ALDH1A1 (0.52) KAT2BALDH1A1TSHRTDP1MAPT
Hydrochloric Acid SCHEMBL8645147 0.82 KAT2B (0.67) KAT2BNPC1RAB9AALDH1A1MAPT
SCHEMBL8647822 0.82 KAT2B (0.60) KAT2BNPC1RAB9AALDH1A1TSHR
SCHEMBL8997010 0.81 KAT2B (0.56) KAT2BNPC1RAB9AALDH1A1MAPT
Diethanolamine SCHEMBL198856 0.81 KAT2B (0.60) KAT2BNPC1RAB9AALDH1A1TSHR
SCHEMBL11720943 0.80 KAT2B (0.61) KAT2BNPC1RAB9AALDH1A1MAPT

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 13 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-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2012-11-01 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
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 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-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885NPC1 2041/4885RAB9A 3476/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885NPC1 2041/4885RAB9A 3476/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885NPC1 2041/4885RAB9A 3476/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885NPC1 2041/4885RAB9A 3476/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885NPC1 2041/4885RAB9A 3476/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 KAT2B 417/4885NPC1 2041/4885RAB9A 3476/4885

“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.