SCHEMBL8235136

SCHEMBL8235136

CCc1cc(N(CC)CC)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.63
ALDH1A1 P00352 13/20 0.52
L3MBTL1 Q9Y468 7/20 0.52
CYP3A4 P08684 4/20 0.52
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
RECQL P46063 2/20 0.52
PSMD14 O00487 1/20 0.52
TSHR P16473 1/20 0.52
GFER P55789 1/20 0.52
TERT O14746 1/20 0.46
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
MAPT P10636 8/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 4/20 0.42

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 SCHEMBL3385416 0.98 S100B (0.61) S100BALDH1A1L3MBTL1CYP3A4MAPK1
Hydrochloric Acid SCHEMBL3385418 0.98 S100B (0.61) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL20163179 0.92 S100B (0.55) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL8061571 0.86 S100B (0.49) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL27568179 0.86 S100B (0.60) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL11443253 0.85 S100B (0.59) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL5491814 0.84 S100B (0.46) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL9114225 0.84 S100B (0.46) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL11441484 0.83 S100B (0.58) S100BALDH1A1L3MBTL1CYP3A4MAPK1
Hydrochloric Acid SCHEMBL11742876 0.83 S100B (0.58) S100BALDH1A1L3MBTL1CYP3A4MAPK1

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
EP-2853293-B1 Thioninium compounds and their use WISTA LAB LTD (SG) 2017-11-22 EP disclosed
EP-2001556-B1 THIONINIUM COMPOUNDS AND THEIR USE WISTA LAB LTD (SG) 2014-10-01 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-2007110629-A1 INHIBITORS OF PROTEIN AGGREGATION WISTA LABORATORIES LTD (SG) 2007-10-04 WO disclosed
WO-2007110630-A1 THIONINIUM COMPOUNDS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2007-10-04 WO disclosed
EP-0643327-A1 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1995-03-15 EP disclosed
US-4233399-A Photographic elements containing amino-substituted hydroxy-pyridones CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-11-11 US disclosed
US-4182886-A OPTICAL FILTERS IN COLOR PHOTOGRAPHY CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-01-08 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-20090209526-A1 INHIBITORS OF PROTEIN AGGREGATION SNCA, PARK7, HTT S100B 261/4885ALDH1A1 3469/4885L3MBTL1 1861/4885

“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.