SCHEMBL13619114

SCHEMBL13619114

C=COOSc1ccc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4cc(C)c(S(=O)(=O)CCN(C)CCS(=O)(=O)O)cc4OC)c(O)c3c2N)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.36
▸ THRB P10828 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PHLPP2 Q6ZVD8 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
SCHEMBL13619107 0.81 ENPP2 (0.35) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13619189 0.78 THRB (0.41) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13619098 0.75 ENPP2 (0.37) ENPP2THRBPHLPP2
SCHEMBL13432875 0.75 ENPP2 (0.34) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13340503 0.75 THRB (0.47) ENPP2THRBMEN1HTTKMT2A
SCHEMBL14159451 0.75 ENPP2 (0.41) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13420618 0.74 THRB (0.49) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13432912 0.74 THRB (0.39) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13340527 0.74 ENPP2 (0.38) ENPP2THRBMEN1HTTKMT2A
SCHEMBL13619110 0.74 THRB (0.40) ENPP2THRBMEN1HTTKMT2A

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-7619074-B2 Reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-11-17 — — US disclosed
US-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-07-09 — — 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-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group SRM, PADI1, NOS1 ENPP2 4431/4885THRB 2058/4885MEN1 1375/4885

“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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