SCHEMBL14612529

SCHEMBL14612529

O=[N+]([O-])c1ccc(Nc2ccc(N=Nc3c(O)ccc(/N=N/c4cc(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc(Nc7ccc([N+](=O)[O-])cc7S(=O)(=O)O)cc6)c(O)c45)c3O)cc2)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.50
▸ PRMT1 Q99873 1/20 0.48
▸ FUT8 Q9BYC5 1/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ CD40 P25942 1/20 0.44
▸ CD40LG P29965 1/20 0.44
▸ NT5E P21589 1/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 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
SCHEMBL14612462 0.99 ENPP2 (0.51) ENPP2PRMT1FUT8PHLPP2MEN1
SCHEMBL15338144 0.88 ENPP2 (0.48) ENPP2PRMT1FUT8PHLPP2MEN1
SCHEMBL14580401 0.88 ENPP2 (0.39) ENPP2PRMT1FUT8PHLPP2MEN1
SCHEMBL14612514 0.87 ENPP2 (0.48) ENPP2PRMT1FUT8MEN1KMT2A
SCHEMBL14612465 0.83 ENPP2 (0.56) ENPP2PRMT1PHLPP2MEN1KMT2A
SCHEMBL14580402 0.82 ENPP2 (0.39) ENPP2PRMT1FUT8PHLPP2MEN1
SCHEMBL30671953 0.81 APEX1 (0.46) MEN1KMT2ATHRBNT5ECYP1A2
SCHEMBL9360135 0.78 ENPP2 (0.58) ENPP2FUT8PHLPP2MEN1KMT2A
SCHEMBL9360119 0.78 ENPP2 (0.58) ENPP2FUT8PHLPP2MEN1KMT2A
SCHEMBL14612498 0.78 CD40 (0.51) ENPP2PRMT1PHLPP2MEN1KMT2A

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 422/4885FUT8 1380/4885

“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