SCHEMBL14612465

SCHEMBL14612465

O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N=Nc4ccc(O)c(N=Nc5c(O)cc([N+](=O)[O-])cc5[N+](=O)[O-])c4O)c3c2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.56
▸ PRMT1 Q99873 1/20 0.51
▸ PHLPP2 Q6ZVD8 1/20 0.46
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2C9 P11712 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SUMO2 P61956 1/20 0.41

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
SCHEMBL14580404 0.86 ENPP2 (0.42) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL12955199 0.85 ENPP2 (0.57) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL14612462 0.84 ENPP2 (0.51) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL14612529 0.83 ENPP2 (0.50) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL13474898 0.81 ENPP2 (0.55) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL590958 0.80 ENPP2 (0.73) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL1201862 0.80 ENPP2 (0.73) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL5859493 0.79 ENPP2 (0.72) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL30671954 0.79 MEN1 (0.55) ENPP2PRMT1PHLPP2CYP1A2CYP2C9
SCHEMBL13892284 0.79 PRMT1 (0.44) ENPP2PRMT1PHLPP2CYP1A2CYP2C9

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-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 ENPP2 3926/4885PRMT1 422/4885PHLPP2 1310/4885

“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.

Send feedback