SCHEMBL13151809

SCHEMBL13151809

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.42
▸ FUT8 Q9BYC5 1/20 0.41
▸ P2RX3 P56373 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ SNCA P37840 2/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33

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
SCHEMBL13151833 0.85 ALDH1A1 (0.46) CHATFUT8P2RX3MEN1KMT2A
SCHEMBL13151829 0.85 CHAT (0.45) CHATFUT8P2RX3MEN1KMT2A
SCHEMBL13151915 0.82 FUT8 (0.48) CHATFUT8P2RX3MEN1KMT2A
SCHEMBL12559088 0.77 ENPP2 (0.47) CHATFUT8MEN1KMT2ASNCA
SCHEMBL13151872 0.76 ENPP2 (0.42) CHATFUT8MAPTALDH1A1HIF1A
SCHEMBL13151971 0.76 FUT8 (0.49) CHATFUT8P2RX3SNCAALDH1A1
SCHEMBL13924369 0.75 HIF1A (0.55) FUT8MEN1KMT2ATHRBTDP1
SCHEMBL14543092 0.74 CHAT (0.38) CHATFUT8P2RX3MEN1KMT2A
SCHEMBL13151893 0.74 ENPP2 (0.40) CHATFUT8MEN1KMT2ATHRB
SCHEMBL13151856 0.73 PHLPP2 (0.45) CHATFUT8P2RX3MEN1KMT2A

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 4 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

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 3030/4885P2RX3 2598/4885

“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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