SCHEMBL8948413

SCHEMBL8948413

NCCNc1cc(CO)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HTR6 P50406 1/20 0.55
KAT2B Q92831 6/20 0.53
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRSS1 P07477 3/20 0.44

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
SCHEMBL16848719 0.88 MAPT (0.54) MAPTKAT2BALDH1A1KMT2A
SCHEMBL20529066 0.85 HCAR3 (0.53) MAPTKAT2BALDH1A1LMNA
SCHEMBL14159375 0.85 KAT2B (0.65) MAPTHTR6KAT2BGLAGAA
SCHEMBL2469830 0.82 MAPT (0.59) MAPTHTR6KAT2BGLAGAA
Hydrochloric Acid SCHEMBL9760225 0.81 KAT2B (0.58) MAPTHTR6KAT2BGLAGAA
SCHEMBL18075569 0.77 PTGER4 (0.44) MAPTGLAGAAALDH1A1SMN1; SMN2
SCHEMBL2472520 0.77 MAPT (0.51) MAPTHTR6KAT2BGLAGAA
SCHEMBL1886423 0.76 ALDH1A1 (0.62) MAPTKAT2BALDH1A1LMNAKMT2A
SCHEMBL29392855 0.75 KAT2B (0.59) MAPTHTR6KAT2BGLAGAA
SCHEMBL2474073 0.75 KAT2B (0.56) MAPTHTR6KAT2BGLAGAA

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-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 (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 MAPT 2715/4885HTR6 4103/4885KAT2B 417/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HTR6 4103/4885KAT2B 417/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HTR6 4103/4885KAT2B 417/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HTR6 4103/4885KAT2B 417/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HTR6 4103/4885KAT2B 417/4885

“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.