SCHEMBL6344200

SCHEMBL6344200

C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)cc1.C[n+]1ccccc1CC(=O)c1ccc(Br)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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AHR P35869 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL2562144 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1KMT2AAHR
Hydrochloric Acid SCHEMBL3028583 0.89 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1KMT2AAHR
Iodide SCHEMBL5948853 0.89 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1KMT2AAHR
SCHEMBL6345616 0.88 NPC1 (0.42) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL6342237 0.87 MAPT (0.46) LMNAMEN1KMT2AL3MBTL1GSK3B
SCHEMBL6352961 0.86 L3MBTL1 (0.39) SMN1; SMN2MEN1KMT2AL3MBTL1RAB9A
SCHEMBL6342190 0.85 KMT2A (0.46) SMN1; SMN2LMNAKMT2AGSK3BRAB9A
SCHEMBL6342168 0.82 LMNA (0.42) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL6562435 0.78 NPC1 (0.50) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL6561361 0.76 L3MBTL1 (0.54) LMNAMEN1KMT2AL3MBTL1GSK3B

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 SMN1; SMN2 271/4885LMNA 4389/4885MEN1 2244/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 SMN1; SMN2 184/4885LMNA 4354/4885MEN1 3434/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 SMN1; SMN2 206/4885LMNA 4368/4885MEN1 3169/4885

“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.