SCHEMBL9609768

SCHEMBL9609768

Cc1ccc2nc3ccc(N(C)C)cc3[s+]c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
TERT O14746 1/20 0.48
APAF1 O14727 1/20 0.45
KDM1A O60341 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
EGFR P00533 2/20 0.40
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP1A2 P05177 1/20 0.39
PSMB5 P28074 4/20 0.39
NCK1 P16333 1/20 0.37
BACE1 P56817 1/20 0.37

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
Methylene Blue Cation SCHEMBL12312491 0.91 APP (0.57) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL12312497 0.91 APP (0.57) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL128584 0.91 APP (0.57) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL29941578 0.91 APP (0.57) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL12312498 0.91 APP (0.57) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL109755 0.91 APP (0.57) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL1461350 0.89 APP (0.55) APPTERTAPAF1ALDH1A1TSHR
Methylene Blue Cation SCHEMBL1207285 0.89 APP (0.55) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL1926028 0.89 APP (0.55) APPTERTAPAF1KDM1AALDH1A1
Methylene Blue Cation SCHEMBL4565666 0.89 APP (0.55) APPTERTAPAF1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267652-A1 PROCESS FOR THE PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS EUPHARMA PTY LTD (AU) 2017-09-21 US disclosed
US-9701648-B2 Process for the purification of diaminophenothiazinium compounds EUPHARMA PTY LTD (AU) 2017-07-11 US disclosed
US-20170002393-A1 COMPOSITIONS AND METHODS FOR ANTIBODY PRODUCTION IMMUNOGEN, INC. (US) 2017-01-05 US disclosed
US-20160200696-A1 PROCESS FOR THE PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS EUPHARMA PTY LTD (AU) 2016-07-14 US disclosed
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8679990-B2 Self-decontaminating coatings and fabrics LOMBARDI JOHN L (US) 2014-03-25 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 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 (3 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-20170267652-A1 PROCESS FOR THE PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS QDPR, DDC, DDT APP 1000/4885TERT 1874/4885APAF1 3666/4885
US-20160200696-A1 PROCESS FOR THE PURIFICATION OF DIAMINOPHENOTHIAZINIUM COMPOUNDS QDPR, MAOB, DDC APP 823/4885TERT 1778/4885APAF1 4543/4885
US-20170002393-A1 COMPOSITIONS AND METHODS FOR ANTIBODY PRODUCTION TXNRD1, P4HB, CYBB APP 2393/4885TERT 4054/4885APAF1 2017/4885

“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.