SCHEMBL5324017

SCHEMBL5324017

CCN(CC)CC[n+]1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSP90AA1 P07900 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAD52 P43351 1/20 0.49
APAF1 O14727 1/20 0.49
USP2 O75604 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 4/20 0.43
GLA P06280 1/20 0.41
CYP1A2 P05177 3/20 0.40
HIF1A Q16665 2/20 0.40
HBB P68871 1/20 0.40
PABPC1 P11940 1/20 0.39
ATM Q13315 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
SCHEMBL14387188 0.87 SMN1; SMN2 (0.52) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
SCHEMBL14387172 0.84 HSP90AA1 (0.48) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
SCHEMBL5323844 0.84 ALDH1A1 (0.51) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
SCHEMBL10307406 0.82 HSP90AA1 (0.51) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
Iodide SCHEMBL5325008 0.81 HSP90AA1 (0.50) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
SCHEMBL10307404 0.80 HSP90AA1 (0.59) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
SCHEMBL10307407 0.79 KMT2A (0.53) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
Bromide SCHEMBL17906580 0.78 HSP90AA1 (0.62) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
Iodide SCHEMBL1789963 0.78 HSP90AA1 (0.58) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1
SCHEMBL23074606 0.78 HSP90AA1 (0.62) LMNASMN1; SMN2HSP90AA1NPSR1ALDH1A1

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 7 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
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
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
EP-1689714-A2 THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2006-08-16 EP disclosed
WO-2005054198-A2 THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2005-06-16 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E LMNA 4580/4885SMN1; SMN2 525/4885HSP90AA1 3482/4885

“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.