SCHEMBL8949423

SCHEMBL8949423

CCCN(C)CCCNc1ccc(NC)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
SLC2A1 P11166 2/20 0.46
HCAR3 P49019 4/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KAT2B Q92831 3/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL12514851 0.91 HTT (0.51) HTTSMN1; SMN2SLC2A1HCAR3MAPT
SCHEMBL11773204 0.83 HTT (0.58) HTTHCAR3MAPTPOLBPKM
SCHEMBL109663 0.82 HTT (0.58) HTTSMN1; SMN2HCAR3MAPTALDH1A1
SCHEMBL9776301 0.79 HTT (0.61) HTTSMN1; SMN2HCAR3MAPTPOLB
SCHEMBL2469818 0.79 KAT2B (0.58) HTTSMN1; SMN2HCAR3MAPTPOLB
SCHEMBL14662016 0.77 MAPT (0.48) HTTSMN1; SMN2SLC2A1MAPTPKM
SCHEMBL9819662 0.77 HTT (0.57) HTTSMN1; SMN2HCAR3MAPTPOLB
SCHEMBL2467529 0.77 HTT (0.57) HTTSMN1; SMN2HCAR3MAPTALDH1A1
SCHEMBL18474151 0.76 MAPT (0.61) SMN1; SMN2HCAR3MAPTPOLBPKM
SCHEMBL11780708 0.74 HTT (0.64) HTTSMN1; SMN2HCAR3MAPTALDH1A1

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-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
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 (5 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 HTT 1443/4885SMN1; SMN2 2667/4885SLC2A1 3423/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 HTT 1443/4885SMN1; SMN2 2667/4885SLC2A1 3423/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 HTT 1443/4885SMN1; SMN2 2667/4885SLC2A1 3423/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 HTT 1443/4885SMN1; SMN2 2667/4885SLC2A1 3423/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 HTT 1443/4885SMN1; SMN2 2667/4885SLC2A1 3423/4885

“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.