SCHEMBL5409141

SCHEMBL5409141

CCC(NCc1ccc(F)cc1)Oc1ccc(-c2cn3ccc(C)cc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HRH3 Q9Y5N1 5/20 0.48
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
GFER P55789 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A3 P47895 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
SCHEMBL5409144 0.78 HRH3 (0.59) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL4727102 0.78 SMN1; SMN2 (0.79) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL5417571 0.76 NPC1 (0.65) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL5261256 0.76 NPC1 (0.54) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL13325751 0.73 TP53 (0.75) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL5257754 0.72 HRH3 (0.60) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL5427018 0.72 HRH3 (0.62) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL13325910 0.71 SMN1; SMN2 (0.93) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL5259851 0.71 HRH3 (0.61) NPC1RAB9AKDM4EPKMKMT2A
SCHEMBL6544442 0.71 NPC1 (1.00) NPC1RAB9AKDM4EPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049277-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-03-03 US claimed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
US-7087757-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-08-08 US disclosed
US-6908929-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
US-20050085502-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J G (US) 2005-04-21 US disclosed
US-20050043348-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-02-24 US disclosed
EP-1268478-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES Ortho McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074815-A2 PHENYL-SUBSTITUTED IMIDAZOPYRIDINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (4 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-20050043348-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 NPC1 323/4885RAB9A 3610/4885KDM4E 1467/4885

“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.