SCHEMBL13892268

SCHEMBL13892268

O=[N+]([O-])c1cc(S(=O)(=O)O)cc(/N=N\c2ccc(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c2O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PLCG1 P19174 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ PRMT1 Q99873 3/20 0.36

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
SCHEMBL13892224 0.92 HPGD (0.39) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL13892284 0.88 PRMT1 (0.44) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL13892265 0.87 CYP2C19 (0.40) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL14582579 0.86 CYP1A2 (0.44) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL14582584 0.86 CYP1A2 (0.44) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL11672613 0.84 CYP1A2 (0.50) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL11672621 0.84 CYP1A2 (0.50) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL14582588 0.83 CYP1A2 (0.43) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL11671397 0.83 CYP1A2 (0.44) CYP1A2CYP2C9HPGDCYP2C19TSHR
SCHEMBL11671388 0.83 CYP1A2 (0.44) CYP1A2CYP2C9HPGDCYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — WO 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 CYP1A2 4054/4885CYP2C9 4003/4885HPGD 2570/4885

“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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