SCHEMBL14580406

SCHEMBL14580406

O=[N+]([O-])c1ccc(O)c(N=Nc2ccc(O)c(N=Nc3cc(S(=O)(=O)O)cc([N+](=O)[O-])c3O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NSD2 O96028 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PLCG1 P19174 1/20 0.44

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
SCHEMBL12954983 0.81 CYP1A2 (0.58) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL13892272 0.81 PRMT1 (0.51) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL4954369 0.79 CYP1A2 (0.57) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL29868768 0.79 CYP1A2 (0.57) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL4954416 0.79 CYP1A2 (0.57) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL4954382 0.79 CYP1A2 (0.57) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL11759913 0.78 CYP1A2 (0.62) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL10896861 0.78 CYP1A2 (0.62) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL13892268 0.77 CYP1A2 (0.37) HPGDCYP1A2TSHRCYP2C9CYP2C19
SCHEMBL30181562 0.75 ENPP2 (0.53) HPGDCYP1A2TSHRCYP2C9CYP2C19

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-20070033749-A1 Anionic azo dyes and the metal complexes thereof ofr colouring leather BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-20070033749-A1 Anionic azo dyes and the metal complexes thereof ofr colouring leather BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 — — 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-20070033749-A1 Anionic azo dyes and the metal complexes thereof ofr colouring leather IK, HLA-A, HLA-C HPGD 2830/4885CYP1A2 1312/4885TSHR 2258/4885

“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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