SCHEMBL3931877

SCHEMBL3931877

Cc1cc2c(cc1N)Sc1cc(N(C)C)ccc1N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.43
MAPT P10636 5/20 0.39
SNCA P37840 4/20 0.38
NOX1 Q9Y5S8 6/20 0.35
MAPK1 P28482 4/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
Hydrochloric Acid SCHEMBL20676747 0.99 APAF1 (0.42) APAF1MAPTSNCANOX1MAPK1
Hydrochloric Acid SCHEMBL735161 0.93 APAF1 (0.46) APAF1MAPTSNCANOX1MAPK1
Hydrochloric Acid SCHEMBL28617143 0.93 APAF1 (0.46) APAF1MAPTSNCANOX1MAPK1
Hydromethylthionine SCHEMBL109756 0.84 SNCA (0.50) MAPTSNCANOX1MAPK1GAA
Hydromethylthionine SCHEMBL12592446 0.84 SNCA (0.50) MAPTSNCANOX1MAPK1GAA
Hydromethylthionine SCHEMBL29356148 0.84 SNCA (0.50) MAPTSNCANOX1MAPK1GAA
Hydromethylthionine SCHEMBL23683393 0.82 SNCA (0.48) MAPTSNCANOX1MAPK1GAA
Hydromethylthionine SCHEMBL12470963 0.82 SNCA (0.48) MAPTSNCANOX1MAPK1GAA
Hydromethylthionine SCHEMBL25194477 0.82 SNCA (0.48) MAPTSNCANOX1MAPK1GAA
Hydromethylthionine SCHEMBL31159644 0.82 SNCA (0.48) MAPTSNCANOX1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018087222-A1 PHOTODYNAMIC DISINFECTION OF COOLING LUBRICANTS ARENTZ JOCHEN (DE) 2018-05-17 WO claimed
WO-2009007376-A1 PHARMACEUTICAL COMPOSITIONS FOR PERORAL ADMINISTRATION OF PHENOTHIAZINE DYESTUFFS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-01-15 WO claimed
WO-2007144048-A2 PRESENTATION FORM FOR THE ORAL ADMINISTRATION OF PHENOTHIAZINE DYES, ITS PRODUCTION AND USE DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2007-12-21 WO claimed
WO-2018087222-A1 PHOTODYNAMIC DISINFECTION OF COOLING LUBRICANTS ARENTZ JOCHEN (DE) 2018-05-17 WO disclosed
US-20170050044-A1 Integumentary System Therapy LEBOVITZ RUSSELL M (US) 2017-02-23 US disclosed
WO-2017015174-A1 INTEGUMENTARY SYSTEM THERAPY LEBOVITZ RUSSELL M (US) 2017-01-26 WO disclosed
EP-2305823-A1 Materials and methods relating to protein aggregation in neurodegenerative disease Wista Laboratories Ltd. (SG) 2011-04-06 EP disclosed
US-7893054-B2 administering to subject in need thereof a medicament comprising a diaminophenothiazine; results in blocking, modulating or inhibiting induced conformational polymerisation of proteinaceous structures such as beta -amyloid plaques and neurofibrillary tangles in the brains of affected patient WISTA LABORATORIES LTD. (SG) 2011-02-22 US disclosed
EP-1352077-B1 MATERIALS AND METHODS RELATING TO PROTEIN AGGREGATION IN NEURODEGENERATIVE DISEASE WISTA LAB LTD (SG) 2010-10-06 EP disclosed
US-20090075984-A1 Materials and methods relating to protein aggregation in neurodegenerative disease WISTA LABORATORIES, LTD. 2009-03-19 US disclosed
WO-2009007376-A1 PHARMACEUTICAL COMPOSITIONS FOR PERORAL ADMINISTRATION OF PHENOTHIAZINE DYESTUFFS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-01-15 WO disclosed
US-7335505-B2 Materials and methods relating to protein aggregation in neurodegenerative disease WISTA LABORATORIES LTD. (SG) 2008-02-26 US disclosed
WO-2007144048-A2 PRESENTATION FORM FOR THE ORAL ADMINISTRATION OF PHENOTHIAZINE DYES, ITS PRODUCTION AND USE DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2007-12-21 WO 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 (2 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-20170050044-A1 Integumentary System Therapy OTC, SUCLG1, TYR APAF1 2126/4885MAPT 2434/4885SNCA 3988/4885
US-20090075984-A1 Materials and methods relating to protein aggregation in neurodegenerative disease MAPT, PRNP, HTT APAF1 1658/4885MAPT 1/4885SNCA 5/4885

“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.