SCHEMBL6342190

SCHEMBL6342190

COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.COc1ccc(C(=O)Cc2cccc[n+]2C)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
NPC1 O15118 7/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSK3B P49841 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HSD11B1 P28845 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6562162 0.91 KMT2A (0.53) KMT2ANPC1RAB9ALMNAKDM4E
Iodide SCHEMBL5949446 0.90 KMT2A (0.52) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6345616 0.86 NPC1 (0.42) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6342237 0.85 MAPT (0.46) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6344200 0.85 SMN1; SMN2 (0.40) KMT2ANPC1RAB9ALMNAGSK3B
SCHEMBL11619439 0.79 KMT2A (0.52) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6352961 0.77 L3MBTL1 (0.39) KMT2ANPC1RAB9AKDM4EMAPT
SCHEMBL6562435 0.76 NPC1 (0.50) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6342168 0.75 LMNA (0.42) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL6561313 0.75 CES2 (0.54) KMT2ANPC1RAB9ALMNAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004168-A1 New substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2005-01-06 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 (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-20050004168-A1 New substituted pyridine or piperidine compounds HRH3, HRH4, HRH1 KMT2A 1973/4885NPC1 2766/4885RAB9A 990/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 KMT2A 2175/4885NPC1 2642/4885RAB9A 1212/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 KMT2A 2442/4885NPC1 2469/4885RAB9A 1088/4885

“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.