SCHEMBL8947890

SCHEMBL8947890

Cc1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 2/20 0.62
HPGD P15428 1/20 0.62
GPR35 Q9HC97 5/20 0.56
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MITF O75030 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
TTR P02766 1/20 0.48

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
SCHEMBL5500201 0.82 GPR35 (0.51) ALDH1A1TDP1HPGDGPR35TSHR
SCHEMBL31032881 0.79 CTSB (0.61) ALDH1A1TDP1HPGDGPR35TSHR
SCHEMBL29401731 0.78 CASP6 (0.62) ALDH1A1TDP1HPGDGPR35TSHR
SCHEMBL458 0.78 CASP6 (0.62) ALDH1A1TDP1HPGDGPR35TSHR
SCHEMBL10337685 0.77 ALDH1A1 (1.00) ALDH1A1TDP1HPGDGPR35MEN1
SCHEMBL93200 0.77 ALDH1A1 (1.00) ALDH1A1TDP1HPGDGPR35MEN1
SCHEMBL29376983 0.77 ALDH1A1 (1.00) ALDH1A1TDP1HPGDGPR35MEN1
SCHEMBL1740623 0.77 CASP6 (0.61) ALDH1A1TDP1HPGDGPR35TSHR
SCHEMBL1740621 0.77 CASP6 (0.61) ALDH1A1TDP1HPGDGPR35TSHR
Water SCHEMBL5050373 0.76 ALDH1A1 (0.97) ALDH1A1TDP1HPGDGPR35MEN1

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 12 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
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 ALDH1A1 192/4885TDP1 841/4885HPGD 738/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TDP1 841/4885HPGD 738/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TDP1 841/4885HPGD 738/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TDP1 841/4885HPGD 738/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TDP1 841/4885HPGD 738/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TDP1 841/4885HPGD 738/4885

“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.