SCHEMBL8946572

SCHEMBL8946572

Cc1ccc(N(C)CN(C)CN(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 3/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 1/20 0.39
KAT2B Q92831 2/20 0.39
LMNA P02545 1/20 0.39
ALDH3A1 P30838 1/20 0.38
GPR35 Q9HC97 1/20 0.38
S1PR4 O95977 1/20 0.36

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
SCHEMBL8949604 0.80 HSD17B10 (0.42) TSHRKDM4EHCAR3ALDH1A1POLB
SCHEMBL2036709 0.77 TSHR (0.62) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL16378794 0.73 TSHR (0.45) TSHRCYP3A4KDM4EGAAALDH1A1
SCHEMBL4554976 0.73 TSHR (0.60) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL7328486 0.72 TSHR (0.55) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL7041286 0.71 TSHR (0.53) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL18676266 0.71 ALDH1A1 (0.55) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL29740661 0.70 TSHR (0.56) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL11880900 0.70 TSHR (0.51) TSHRCYP3A4KDM4EGAAHCAR3
SCHEMBL9769601 0.70 ALDH1A1 (0.54) TSHRCYP3A4KDM4EGAAHCAR3

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-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
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 TSHR 4752/4885CYP3A4 1216/4885KDM4E 2691/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885CYP3A4 1216/4885KDM4E 2691/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885CYP3A4 1216/4885KDM4E 2691/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885CYP3A4 1216/4885KDM4E 2691/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885CYP3A4 1216/4885KDM4E 2691/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TSHR 4752/4885CYP3A4 1216/4885KDM4E 2691/4885

“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.