SCHEMBL6123809

SCHEMBL6123809

Nc1c(N=Nc2ccc3c(O)c(N=Nc4cc5c(O)c(N=Nc6ccc(N=Nc7ccc(S(=O)(=O)O)cc7)cc6SOOO)c(S(=O)(=O)O)cc5cc4SOOO)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2cc(SOOO)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.42
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ APEX1 P27695 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31

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
SCHEMBL6123787 0.96 ENPP2 (0.41) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13900472 0.96 ENPP2 (0.41) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL14374615 0.94 ENPP2 (0.40) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13900499 0.93 ENPP2 (0.38) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL14374585 0.92 ENPP2 (0.45) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13900494 0.92 CD40 (0.46) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13852023 0.91 ENPP2 (0.39) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL14268631 0.91 ENPP2 (0.37) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL14268605 0.90 ENPP2 (0.38) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL14374652 0.90 ENPP2 (0.38) ENPP2CD40CD40LGPHLPP2CYP1A2

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-8167991-B2 Trisazo compound, ink composition, recording method, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-01 — — US disclosed
US-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — 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-20090062545-A1 Trisazo Compound, Ink Composition, Recording Method, and Colored Article JAK1, TMT1A, CDK1 ENPP2 4384/4885CD40 4054/4885CD40LG 3920/4885

“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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