SCHEMBL5367456

SCHEMBL5367456

COC(=O)c1ccc[n+](CC(=O)N(Br)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
RECQL P46063 1/20 0.56
GLA P06280 1/20 0.52
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.44
HSP90AA1 P07900 5/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 4/20 0.42
PABPC1 P11940 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.39

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
SCHEMBL5358451 0.85 HSP90AA1 (0.45) ALDH1A1RECQLGLAHSP90AA1APOBEC3A
SCHEMBL5445229 0.79 ALDH1A1 (0.57) ALDH1A1RECQLGLAHTTTSHR
Bromide SCHEMBL7514295 0.79 ALDH1A1 (0.76) ALDH1A1RECQLGLAHTTTSHR
SCHEMBL12205239 0.77 ALDH1A1 (0.64) ALDH1A1RECQLGLAHTTTSHR
SCHEMBL5367449 0.74 ALDH1A1 (0.62) ALDH1A1RECQLGLAHTTHSP90AA1
SCHEMBL10307403 0.73 ALDH1A1 (0.59) ALDH1A1RECQLGLAHTTTSHR
Bromide SCHEMBL9155378 0.73 NPSR1 (0.62) ALDH1A1RECQLGLAHTTTSHR
SCHEMBL10307413 0.71 ALDH1A1 (0.57) ALDH1A1RECQLGLAHTTTSHR
SCHEMBL3841660 0.71 ALDH1A1 (0.57) ALDH1A1RECQLGLAHTTTSHR
Bromide SCHEMBL4504186 0.70 ALDH1A1 (0.56) ALDH1A1RECQLGLAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E ALDH1A1 2886/4885RECQL 2324/4885GLA 1336/4885

“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.