SCHEMBL16674126

SCHEMBL16674126

CCN(CC)c1ccc2c(c1)CC1=CC(=[N+](CC)CC)C=CC1=C2c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ APLNR P35414 1/20 0.31

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
SCHEMBL15672423 0.76 TDP1 (0.36) HSP90AA1TLR9MEN1KMT2ATDP1
SCHEMBL15318100 0.73 MEN1 (0.31) HSP90AA1TLR9MEN1KMT2ATDP1
SCHEMBL4813305 0.67 HSP90AA1 (0.66) HSP90AA1TLR9MEN1BLMKMT2A
Isosulfan Blue Inner Salt SCHEMBL30876833 0.67 HSP90AA1 (0.66) HSP90AA1TLR9MEN1BLMKMT2A
Isosulfan Blue Inner Salt SCHEMBL866914 0.67 HSP90AA1 (0.66) HSP90AA1TLR9MEN1BLMKMT2A
Water SCHEMBL185743 0.66 HSP90AA1 (0.64) HSP90AA1TLR9MEN1BLMKMT2A
Isosulfan Blue Inner Salt SCHEMBL29683989 0.66 HSP90AA1 (0.64) HSP90AA1TLR9MEN1BLMKMT2A
Isosulfan Blue Inner Salt SCHEMBL31244567 0.66 HSP90AA1 (0.64) HSP90AA1TLR9MEN1BLMKMT2A
SCHEMBL29499146 0.66 HSP90AA1 (0.64) HSP90AA1TLR9MEN1BLMKMT2A
SCHEMBL21628088 0.66 ALDH1A1 (0.49) HSP90AA1MEN1KMT2ATDP1THRB

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 HSP90AA1 3436/4885TLR9 4759/4885MEN1 2069/4885

“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.

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