SCHEMBL8949429

SCHEMBL8949429

CCCOCCNc1cc(Cl)cc(NCCOCCO)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 5/20 0.40
AGTR1 P30556 1/20 0.39
MEN1 O00255 5/20 0.39
HPGD P15428 3/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
ALPG P10696 1/20 0.38
POLB P06746 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
SCHEMBL15423129 0.94 MAPT (0.43) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL9771713 0.94 MAPT (0.46) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL14960085 0.89 LMNA (0.46) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL9771617 0.79 MAPT (0.47) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL9771656 0.78 LMNA (0.60) MAPTKMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL9771688 0.77 KMT2A (0.54) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9771579 0.77 ALDH1A1 (0.56) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL9820272 0.75 MAPT (0.45) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL20797604 0.74 KAT2B (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9000244 0.74 MAPT (0.43) MAPTKMT2ASMN1; SMN2GAAALDH1A1

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 9 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-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 (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-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885KMT2A 1622/4885SMN1; SMN2 2667/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885KMT2A 1622/4885SMN1; SMN2 2667/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885KMT2A 1622/4885SMN1; SMN2 2667/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885KMT2A 1622/4885SMN1; SMN2 2667/4885

“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.