SCHEMBL19398391

SCHEMBL19398391

CC(=O)N1c2ccc(C)cc2Sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.76
▸ RAB9A P51151 2/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44

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
SCHEMBL1208152 0.93 SNCA (0.86) SNCALMNASMN1; SMN2MAPTMAPK1
SCHEMBL29850622 0.93 SNCA (0.86) SNCALMNASMN1; SMN2MAPTMAPK1
SCHEMBL21752000 0.86 SNCA (1.00) SNCALMNASMN1; SMN2MAPTMAPK1
SCHEMBL17591100 0.83 SNCA (0.71) SNCALMNASMN1; SMN2MAPTMAPK1
SCHEMBL21751995 0.83 SNCA (1.00) SNCAPAX8LMNASMN1; SMN2MAPT
SCHEMBL21771119 0.77 SNCA (0.71) SNCARAB9ALMNASMN1; SMN2MAPT
SCHEMBL8226386 0.75 SNCA (0.78) SNCARAB9AMAPTGAANOX1
SCHEMBL17999732 0.74 SNCA (0.84) SNCAPAX8LMNASMN1; SMN2MAPT
SCHEMBL17999733 0.74 SNCA (0.84) SNCAPAX8LMNASMN1; SMN2MAPT
SCHEMBL18408642 0.74 SNCA (0.57) SNCARAB9APAX8RECQLLMNA

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-9980971-B2 Methods of synthesis and/or purification of diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2018-05-29 — — US disclosed
US-20170273986-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2017-09-28 — — 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-20170273986-A1 METHODS OF SYNTHESIS AND/OR PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS MB, TPMT, HBB SNCA 173/4885RAB9A 2788/4885PAX8 927/4885

“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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