SCHEMBL8235134

SCHEMBL8235134

CCc1cc(N(CC)CC)ccc1N=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.43
S100B P04271 1/20 0.42
ALDH1A1 P00352 15/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MAPT P10636 9/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 7/20 0.41
GAA P10253 3/20 0.41
RAB9A P51151 2/20 0.40
GLA P06280 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL127313 0.83 ALDH1A1 (0.45) TERTALDH1A1MAPTL3MBTL1HPGD
SCHEMBL6315517 0.81 S100B (0.55) TERTS100BALDH1A1ALDH3A1ALDH1A3
SCHEMBL29740108 0.80 MAPT (0.53) ALDH1A1MAPTL3MBTL1HPGDMEN1
SCHEMBL374911 0.80 MAPT (0.53) ALDH1A1MAPTL3MBTL1HPGDMEN1
SCHEMBL11305886 0.80 ALDH1A1 (0.45) TERTS100BALDH1A1ALDH3A1ALDH1A3
SCHEMBL11188554 0.79 ALDH1A1 (0.59) TERTS100BALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL103959 0.79 MAPT (0.51) ALDH1A1MAPTL3MBTL1HPGDMEN1
SCHEMBL4931636 0.79 ALDH1A1 (0.41) TERTS100BALDH1A1ALDH3A1ALDH1A3
SCHEMBL29914670 0.79 ALDH1A1 (0.59) TERTS100BALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL11766454 0.77 ALDH1A1 (0.58) TERTS100BALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2853293-B1 Thioninium compounds and their use WISTA LAB LTD (SG) 2017-11-22 EP disclosed
US-8263589-B2 Inhibitors of protein aggregation WISTA LABORATORIES LTD. (SG) 2012-09-11 US disclosed
US-8263589-B2 Inhibitors of protein aggregation WISTA LABORATORIES LTD. (SG) 2012-09-11 US disclosed
US-7737138-B2 Methods of treatment of a tauopathy condition comprising the use of thioninium compounds WISTA LABORATORIES LTD. (SG) 2010-06-15 US disclosed
US-7737138-B2 Methods of treatment of a tauopathy condition comprising the use of thioninium compounds WISTA LABORATORIES LTD. (SG) 2010-06-15 US disclosed
US-20090209526-A1 INHIBITORS OF PROTEIN AGGREGATION WISTA LABORATORIES LTD 2009-08-20 US disclosed
US-20090209526-A1 INHIBITORS OF PROTEIN AGGREGATION WISTA LABORATORIES LTD 2009-08-20 US disclosed
WO-2007110630-A1 THIONINIUM COMPOUNDS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2007-10-04 WO disclosed
WO-2007110629-A1 INHIBITORS OF PROTEIN AGGREGATION WISTA LABORATORIES LTD (SG) 2007-10-04 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 (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-20090209526-A1 INHIBITORS OF PROTEIN AGGREGATION SNCA, PARK7, HTT TERT 2153/4885S100B 261/4885ALDH1A1 3469/4885

“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.