SCHEMBL3606677

SCHEMBL3606677

Cc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C

nearest known ligand 0.96

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.96
POLB P06746 1/20 0.96
RAB9A P51151 1/20 0.96
SMN1; SMN2 Q16637 1/20 0.96
BCHE P06276 12/20 0.50
ACHE P22303 12/20 0.50

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
SCHEMBL3598215 1.00 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL4890046 1.00 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3592351 1.00 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3600997 1.00 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL3603641 1.00 NPC1 (0.96) NPC1POLBRAB9ASMN1; SMN2BCHE
Bromide SCHEMBL4887911 0.98 NPC1 (1.00) NPC1POLBRAB9ASMN1; SMN2BCHE
Bromide SCHEMBL3601102 0.98 NPC1 (1.00) NPC1POLBRAB9ASMN1; SMN2BCHE
Bromide SCHEMBL3595600 0.98 NPC1 (1.00) NPC1POLBRAB9ASMN1; SMN2BCHE
SCHEMBL628536 0.92 SMN1; SMN2 (0.81) NPC1POLBRAB9ASMN1; SMN2ACHE
SCHEMBL627732 0.92 SMN1; SMN2 (0.81) NPC1POLBRAB9ASMN1; SMN2ACHE

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
US-20100152237-A1 BIS-PYRINDINO CONTAINING COMPOUNDS FOR THE USE IN THE TREATMENT OF CNS PATHOLOGIES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-06-17 US claimed
US-20080287490-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-11-20 US claimed
US-20050261334-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2005-11-24 US claimed
US-8546415-B2 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-20100152237-A1 BIS-PYRINDINO CONTAINING COMPOUNDS FOR THE USE IN THE TREATMENT OF CNS PATHOLOGIES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-06-17 US disclosed
US-20080287490-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-11-20 US disclosed
US-20050261334-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2005-11-24 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 (3 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-20100152237-A1 BIS-PYRINDINO CONTAINING COMPOUNDS FOR THE USE IN THE TREATMENT OF CNS PATHOLOGIES SLC18A3, CHRNB2, CHRNB3 NPC1 463/4885POLB 1826/4885RAB9A 1101/4885
US-20050261334-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies SLC18A3, SLC18A2, CHRNB2 NPC1 440/4885POLB 1522/4885RAB9A 1366/4885
US-20080287490-A1 Bis-pyridino containing compounds for the use in the treatment of CNS pathologies SLC18A3, SLC18A2, CHRNB2 NPC1 440/4885POLB 1522/4885RAB9A 1366/4885

“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.