SCHEMBL18784959

SCHEMBL18784959

Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc([SH](=O)=O)cc(N)c2c1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.85
▸ KMT2A Q03164 2/20 0.85
▸ HTT P42858 1/20 0.85
▸ PHLPP2 Q6ZVD8 2/20 0.72
▸ ENPP2 Q13822 9/20 0.67
▸ PTPN1 P18031 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ CYP1A2 P05177 2/20 0.52
▸ SUMO2 P61956 1/20 0.52
▸ SUMO1 P63165 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP3 Q9H4L4 1/20 0.52
▸ SENP2 Q9HC62 1/20 0.52
▸ SENP1 Q9P0U3 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL14664307 0.96 MEN1 (0.79) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL16601920 0.96 MEN1 (0.78) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL12234090 0.92 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL29376676 0.92 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL29355441 0.92 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL29415031 0.92 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
Trypan Blue Free Acid SCHEMBL15497820 0.92 MEN1 (1.00) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL17278440 0.91 MEN1 (0.70) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL13243797 0.90 MEN1 (0.94) MEN1KMT2AHTTPHLPP2ENPP2
SCHEMBL20128454 0.87 MEN1 (0.85) MEN1KMT2AHTTPHLPP2ENPP2

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-20170112948-A1 Inorganic-organic hybrid compound Karlsruher Institut für Technologie (DE) 2017-04-27 — — 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-20170112948-A1 Inorganic-organic hybrid compound SLCO4C1, SLCO2A1, SLCO1A2 MEN1 1681/4885KMT2A 3120/4885HTT 852/4885

“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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