SCHEMBL1932115

SCHEMBL1932115

CN(C)c1ccc(N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 4/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 6/20 0.39
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11811790 0.78 CYP3A4 (0.46) ALDH1A1MAPK1ALOX15CYP3A4TP53
SCHEMBL31357831 0.77 HRH3 (0.38) ALDH1A1GAAKMT2AMAPTKDM4E
SCHEMBL7406313 0.76 GAA (0.59) ALDH1A1MAPK1ALOX15CYP3A4TP53
SCHEMBL10956325 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1ALOX15CYP3A4TP53
SCHEMBL9566865 0.76 ALOX15 (0.42) ALDH1A1MAPK1ALOX15TDP1GAA
SCHEMBL15281583 0.74 MAPT (0.42) ALDH1A1MAPK1TDP1GAAKMT2A
SCHEMBL214484 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1ALOX15CYP3A4TP53
SCHEMBL8644984 0.74 CRHR1 (0.46) ALDH1A1MAPK1ALOX15CYP3A4TP53
SCHEMBL21904876 0.73 ALDH1A1 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL9788673 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1ALOX15CYP3A4TP53

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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
US-8609652-B2 Method of administering a methylene blue-curcumin analog for the treatment of alzheimer's disease DePuy Synthes Products, LLC (US) 2013-12-17 US disclosed
US-20110130392-A1 Method of Administering a Methylene Blue - Curcumin Analog for the Treatment of Alzheimer's Disease DEPUY SPINE, LLC 2011-06-02 US disclosed
US-7906643-B2 Methylene blue-curcumin analog for the treatment of Alzheimer's Disease CODMAN & SHURTLEFF, INC. (US) 2011-03-15 US disclosed
US-20100190978-A1 METHYLENE BLUE - CURCUMIN ANALOG FOR THE TREATMENT OF ALZHEIMER'S DISEASE CODMAN & SHURTLEFF, INC. 2010-07-29 US disclosed
WO-2010085739-A1 METHYLENE BLUE - CURCUMIN ANALOG FOR THE TREATMENT OF ALZHEIMER'S DISEASE CODMAN & SHURTLEFF, INC. (US) 2010-07-29 WO disclosed
US-7723515-B1 Methylene blue—curcumin analog for the treatment of alzheimer's disease CODMAN & SHURTLEFF, INC. (US) 2010-05-25 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-20100190978-A1 METHYLENE BLUE - CURCUMIN ANALOG FOR THE TREATMENT OF ALZHEIMER'S DISEASE APP, PSEN2, MAPT ALDH1A1 441/4885MAPK1 3878/4885ALOX15 1034/4885
US-20110130392-A1 Method of Administering a Methylene Blue - Curcumin Analog for the Treatment of Alzheimer's Disease APP, PSEN2, MAPT ALDH1A1 438/4885MAPK1 4307/4885ALOX15 857/4885
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 ALDH1A1 2841/4885MAPK1 2049/4885ALOX15 3755/4885

“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.