SCHEMBL1806702

SCHEMBL1806702

COc1cccc2c(S(=O)(=O)O)ccc(N)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.63
AURKB Q96GD4 1/20 0.63
TTR P02766 1/20 0.50
NR4A1 P22736 1/20 0.46
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
BLM P54132 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
IDO1 P14902 1/20 0.41
EP300 Q09472 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 2/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL9149979 0.83 AURKA (0.56) AURKAAURKBTTRNR4A1MEN1
SCHEMBL9150920 0.82 AURKA (0.49) AURKAAURKBTTRNR4A1MEN1
SCHEMBL5711912 0.82 AURKA (0.77) AURKAAURKBTTRNR4A1MEN1
SCHEMBL1806701 0.82 AURKA (0.44) AURKAAURKBTTRMEN1MAPT
SCHEMBL159399 0.80 AURKA (0.75) AURKAAURKBTTRNR4A1ALDH1A1
SCHEMBL30822934 0.80 AURKA (0.75) AURKAAURKBTTRNR4A1ALDH1A1
SCHEMBL11307787 0.79 AURKA (0.56) AURKAAURKBTTRNR4A1MEN1
SCHEMBL11759180 0.79 AURKA (0.73) AURKAAURKBTTRNR4A1ALDH1A1
SCHEMBL11429443 0.79 AURKA (0.73) AURKAAURKBTTRNR4A1ALDH1A1
SCHEMBL30118457 0.79 AURKA (0.73) AURKAAURKBTTRNR4A1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
EP-0369219-B1 Light-sensitive compounds, preparation of a light-sensitive mixture therewith and a recording material HOECHST AG (DE) 1995-01-04 EP disclosed
US-5114816-A RADIATION-SENSITIVE COMPOUNDS, RADIATION-SENSITIVE MIXTURE PREPARED THEREWITH AND COPYING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-19 US disclosed
EP-0369219-A1 Light-sensitive compounds, preparation of a light-sensitive mixture therewith and a recording material HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-23 EP 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 (1 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 AURKA 2276/4885AURKB 3467/4885TTR 594/4885

“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.