SCHEMBL13151829

SCHEMBL13151829

NC(=O)Nc1cc(Nc2nc(O)nc(Nc3ccc(/N=N/c4cc(S(=O)(=O)O)ccc4S(=O)(=O)O)c(NC(N)=O)c3)n2)ccc1/N=N/c1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.45
▸ FUT8 Q9BYC5 1/20 0.43
▸ NT5E P21589 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ENPP2 Q13822 4/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL13151916 0.87 CHAT (0.40) CHATFUT8NT5EMEN1THRB
SCHEMBL13151809 0.85 CHAT (0.42) CHATFUT8MEN1THRBKMT2A
SCHEMBL13151868 0.84 FUT8 (0.42) CHATFUT8NT5EMEN1THRB
SCHEMBL13151833 0.82 ALDH1A1 (0.46) CHATFUT8MEN1THRBKMT2A
SCHEMBL13151915 0.81 FUT8 (0.48) CHATFUT8MEN1THRBKMT2A
SCHEMBL13389016 0.81 SUMO2 (0.48) CHATFUT8MEN1THRBKMT2A
SCHEMBL14625743 0.80 ALDH1A1 (0.44) NT5EMEN1THRBKMT2AENPP2
SCHEMBL11424803 0.80 ENPP2 (0.43) NT5EMEN1THRBKMT2AENPP2
SCHEMBL5838587 0.78 CD40 (0.49) CHATFUT8ENPP2USP2APEX1
SCHEMBL5839329 0.78 CD40 (0.49) CHATFUT8ENPP2USP2APEX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799122-B2 Azo compounds FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-09-21 — — US disclosed
US-7799122-B2 Azo compounds FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-09-21 — — US disclosed
US-20100151212-A1 Azo compounds FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-06-17 — — US disclosed
US-20100151212-A1 Azo compounds FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-06-17 — — US disclosed
EP-1913091-B1 AZO COMPOUNDS FUJIFILM IMAGING COLORANTS LTD (GB) 2009-04-22 — — EP 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-20100151212-A1 Azo compounds PAH, CYP1A1, RB1 CHAT 2140/4885FUT8 3030/4885NT5E 4758/4885

“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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