SCHEMBL2997183

SCHEMBL2997183

O=c1c(Br)ccc2cccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 3/20 0.56
MAPT P10636 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
APAF1 O14727 2/20 0.45
NPC1 O15118 2/20 0.45
THRB P10828 2/20 0.45
RAB9A P51151 2/20 0.45
GALK1 P51570 2/20 0.45
BLM P54132 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PTGS2 P35354 1/20 0.45
XBP1 P17861 1/20 0.45
PTBP1 P26599 1/20 0.45
SMAD3 P84022 1/20 0.45

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
SCHEMBL28286961 0.80 ALDH1A1 (0.84) ALDH1A1MAPK1MAPTHTTLMNA
SCHEMBL7914987 0.80 LMNA (0.55) ALDH1A1MAPK1MAPTHTTLMNA
SCHEMBL7918817 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTHTTLMNA
SCHEMBL30121160 0.73 ALDH1A1 (0.90) ALDH1A1MAPK1MAPTHTTLMNA
SCHEMBL3778039 0.73 ALDH1A1 (0.90) ALDH1A1MAPK1MAPTHTTLMNA
SCHEMBL26834203 0.73 ALDH1A1 (0.62) ALDH1A1MAPK1MAPTHTTLMNA
SCHEMBL115115 0.72 ALDH1A1 (1.00) ALDH1A1MAPK1MAPTLMNANPC1
SCHEMBL30451936 0.72 ALDH1A1 (1.00) ALDH1A1MAPK1MAPTLMNANPC1
Formaldehyde SCHEMBL29056140 0.71 ALDH1A1 (0.85) ALDH1A1MAPK1MAPTKMT2ARAB9A
Water SCHEMBL2802174 0.70 ALDH1A1 (0.94) ALDH1A1MAPK1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX ALDH1A1 3806/4885MAPK1 1429/4885MAPT 1423/4885

“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.