SCHEMBL30851251

SCHEMBL30851251

CNc1ccc2c(c1)Sc1cc(NC)ccc1N2C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 4/20 0.54
▸ SNCA P37840 4/20 0.50
▸ BCHE P06276 7/20 0.42
▸ ACHE P22303 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL1926804 1.00 NOX1 (0.54) NOX1SNCABCHEACHEL3MBTL1
SCHEMBL8223437 0.91 NOX1 (0.46) NOX1SNCABCHEACHEL3MBTL1
SCHEMBL18408661 0.89 MAPK1 (0.55) NOX1SNCABCHEACHEL3MBTL1
SCHEMBL396463 0.85 BCHE (0.61) NOX1SNCABCHEACHEKMT2A
SCHEMBL10847578 0.85 NOX1 (0.53) NOX1SNCAL3MBTL1MEN1KMT2A
SCHEMBL29850631 0.83 NOX1 (0.50) NOX1SNCABCHEKDM4E
SCHEMBL1207987 0.83 NOX1 (0.50) NOX1SNCABCHEKDM4E
SCHEMBL1828804 0.82 SNCA (0.44) NOX1SNCABCHEACHEL3MBTL1
SCHEMBL12955933 0.80 MEN1 (0.63) SNCABCHEACHEL3MBTL1MEN1
SCHEMBL14142982 0.79 BCHE (0.61) NOX1SNCABCHEACHE

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-20240115580-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2024-04-11 — — 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-20240115580-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MB, TPMT, HBB NOX1 1655/4885SNCA 173/4885BCHE 1159/4885

“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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