SCHEMBL16675035

SCHEMBL16675035

O=S(=O)(O)c1cc(S(=O)(=O)I)c2c(/N=N/c3ccc(S(=O)(=O)O)c4ccccc34)c(O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.70
ALDH1A1 P00352 2/20 0.70
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
THRB P10828 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP1A2 P05177 5/20 0.53
CYP2C9 P11712 2/20 0.53
HIF1A Q16665 2/20 0.53
TSHR P16473 1/20 0.53
PTPRA P18433 1/20 0.53
PTPRB P23467 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTRB1 P17538 1/20 0.52
DNASE1L3 Q13609 1/20 0.50
PRMT1 Q99873 1/20 0.49
MPL P40238 5/20 0.48
CTRC Q99895 2/20 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
SCHEMBL29374890 0.94 MAPK1 (0.80) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL344614 0.94 MAPK1 (0.80) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL112109 0.94 MAPK1 (0.80) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL29694156 0.94 MAPK1 (0.80) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL185436 0.94 MAPK1 (0.80) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL29378602 0.93 MAPK1 (0.78) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL30509839 0.93 MAPK1 (0.78) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL3199291 0.93 MAPK1 (0.78) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL185435 0.93 MAPK1 (0.78) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL19697192 0.90 MAPK1 (0.70) MAPK1ALDH1A1KMT2AMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150113742-A1 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'OREAL (FR) 2015-04-30 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 (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-20150113742-A1 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES KRT18, IK, COL14A1 MAPK1 2118/4885ALDH1A1 1961/4885KMT2A 2612/4885

“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.