SCHEMBL14612530

SCHEMBL14612530

Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)Nc4ccc(N=Nc5ccc(O)cc5O)cc4)cc3)c(O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.58
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ THRB P10828 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL14612515 0.89 ENPP2 (0.58) ENPP2HTTMEN1KMT2ATHRB
SCHEMBL13138833 0.89 ENPP2 (0.58) ENPP2HTTMEN1KMT2ATHRB
SCHEMBL14135638 0.89 ENPP2 (0.58) ENPP2HTTMEN1KMT2ATHRB
SCHEMBL14271157 0.88 ENPP2 (0.58) ENPP2HTTMEN1KMT2AALDH1A1
SCHEMBL14495437 0.85 ENPP2 (0.46) ENPP2HTTLMNAMEN1KMT2A
SCHEMBL4461171 0.83 ENPP2 (0.73) ENPP2HTTMEN1KMT2AMAPT
SCHEMBL10891731 0.83 ENPP2 (0.73) ENPP2HTTMEN1KMT2AMAPT
SCHEMBL14271159 0.82 THRB (0.53) ENPP2HTTLMNAMEN1KMT2A
SCHEMBL30725536 0.82 ENPP2 (0.76) ENPP2HTTLMNAMEN1KMT2A
SCHEMBL10621055 0.82 ENPP2 (0.76) ENPP2HTTLMNAMEN1KMT2A

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 3926/4885HTT 4337/4885LMNA 130/4885

“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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