SCHEMBL13892265

SCHEMBL13892265

O=[N+]([O-])c1cc(/N=N/c2ccc(O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ APEX1 P27695 1/20 0.36
▸ PRMT1 Q99873 2/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ THRB P10828 2/20 0.33

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 0.93 HPGD (0.39) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL14582579 0.90 CYP1A2 (0.44) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL14582584 0.90 CYP1A2 (0.44) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL13881006 0.88 CYP1A2 (0.35) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL13892268 0.87 CYP1A2 (0.37) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL14582588 0.84 CYP1A2 (0.43) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL13892284 0.84 PRMT1 (0.44) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL11673480 0.83 CYP1A2 (0.50) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL11673487 0.83 CYP1A2 (0.50) CYP2C19CYP1A2CYP2C9TSHRHSD17B10
SCHEMBL14582577 0.82 MEN1 (0.45) CYP2C19CYP1A2CYP2C9TSHRHSD17B10

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 CYP2C19 4643/4885CYP1A2 4054/4885CYP2C9 4003/4885

“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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