Iodide

Iodide

SCHEMBL5949686

COc1ccc(C(=O)Cc2cccc(CC(=O)c3ccc(F)cc3)[n+]2C)cc1.[I-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GSK3B P49841 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 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
SCHEMBL6559659 0.99 NPC1 (0.47) NPC1RAB9AKMT2AHTTKDM4E
Iodide SCHEMBL5949248 0.89 CES2 (0.53) NPC1RAB9AKMT2AHTTMEN1
Trifluoromethanesulfonic Acid SCHEMBL5948588 0.88 ACHE (0.49) NPC1RAB9AKMT2AHTTKDM4E
Iodide SCHEMBL5948776 0.88 KCNH2 (0.48) NPC1RAB9AKMT2AHTTMEN1
SCHEMBL6561313 0.87 CES2 (0.54) NPC1RAB9AKMT2AHTTMEN1
SCHEMBL6560677 0.86 KCNH2 (0.49) NPC1RAB9AKMT2AHTTMEN1
Iodide SCHEMBL5948931 0.86 RAB9A (0.47) NPC1RAB9AKMT2AHTTKDM4E
SCHEMBL6562193 0.84 RAB9A (0.48) NPC1RAB9AKMT2AHTTMEN1
Trifluoromethanesulfonic Acid SCHEMBL5948548 0.79 ACHE (0.50) NPC1RAB9AKMT2AMAPTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL5949294 0.78 ACHE (0.49) NPC1RAB9AKMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734196-B2 ANALGESICS; COGNITION ACTIVATORS LES LABORATOIRES SERVIER (FR) 2004-05-11 US claimed
US-6511992-B2 For treating pain or memory deficiencies related to Alzheimer's disease and other neurodegenerative disorders associated with aging LES LABORATORIES SERVIER (FR) 2003-01-28 US claimed
US-20060211731-A1 New substituted pyridine or piperidine compounds LES LABORATORIES SERVIER (FR) 2006-09-21 US disclosed
US-20050004168-A1 New substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2005-01-06 US disclosed
US-6734196-B2 ANALGESICS; COGNITION ACTIVATORS LES LABORATOIRES SERVIER (FR) 2004-05-11 US disclosed
US-6638946-B2 1-(4-bromophenyl)-2-(1-methyl-2-piperidinyl)-1-ethanone, for example; treating neurodegenerative diseases such as Alzheimer's disease, Parkinson's disease, Korsakoff's disease and frontal lobe and subcortical dementias LES LABORATOIRES SERVIER (FR) 2003-10-28 US disclosed
US-20030181484-A1 New substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2003-09-25 US disclosed
US-20030139408-A1 Substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2003-07-24 US disclosed
US-6511992-B2 For treating pain or memory deficiencies related to Alzheimer's disease and other neurodegenerative disorders associated with aging LES LABORATORIES SERVIER (FR) 2003-01-28 US disclosed
US-20020040036-A1 New substituted pyridine or piperidine compounds ADIR ET COMPAGNIE 2002-04-04 US disclosed
US-20020035123-A1 New substituted pyridine or piperidine compounds ADIR ET COMPAGNIE 2002-03-21 US disclosed
US-6323220-B1 COGNITION ACTIVATORS AND TREATMENT OF NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 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 (6 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-20030181484-A1 New substituted pyridine or piperidine compounds CNR1, HRH4, OPRD1 NPC1 2461/4885RAB9A 1163/4885KMT2A 2051/4885
US-20060211731-A1 New substituted pyridine or piperidine compounds HRH3, P2RY1, CHRM1 NPC1 2862/4885RAB9A 1017/4885KMT2A 1857/4885
US-20030139408-A1 Substituted pyridine or piperidine compounds P2RY1, HRH3, CNR1 NPC1 2338/4885RAB9A 931/4885KMT2A 1762/4885
US-20050004168-A1 New substituted pyridine or piperidine compounds HRH3, HRH4, HRH1 NPC1 2766/4885RAB9A 990/4885KMT2A 1973/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 NPC1 2642/4885RAB9A 1212/4885KMT2A 2175/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 NPC1 2469/4885RAB9A 1088/4885KMT2A 2442/4885

“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.