SCHEMBL5358451

SCHEMBL5358451

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 5/20 0.43
ATM Q13315 2/20 0.43
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.39
CYP2D6 P10635 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL5367456 0.85 ALDH1A1 (0.56) HSP90AA1GLAKMT2AATMPABPC1
SCHEMBL5323798 0.77 GLA (0.50) HSP90AA1GLAKMT2AATMPABPC1
SCHEMBL5433958 0.74 GAA (0.60) HSP90AA1GLAKMT2AATMPABPC1
SCHEMBL5466834 0.74 HSP90AA1 (0.77) HSP90AA1KMT2ABACE1CYP2D6ALDH1A1
SCHEMBL14386864 0.73 HSP90AA1 (0.52) HSP90AA1GLAKMT2AATMPABPC1
SCHEMBL5430536 0.72 SMN1; SMN2 (0.61) HSP90AA1GLAKMT2AATMPABPC1
Bromide SCHEMBL28824162 0.72 MAPT (0.52) HSP90AA1GLAKMT2AATMPABPC1
Iodide SCHEMBL5324728 0.72 NPSR1 (0.54) HSP90AA1GLAKMT2AATMPABPC1
SCHEMBL5358439 0.71 KMT2A (0.71) HSP90AA1KMT2AAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL14506167 0.71 KMT2A (0.49) HSP90AA1GLAKMT2AATMPABPC1

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 HSP90AA1 3482/4885GLA 1336/4885KMT2A 3979/4885

“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.