SCHEMBL5406505

SCHEMBL5406505

CCN(CC)CCC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
ALDH1A1 P00352 7/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
HRH3 Q9Y5N1 6/20 0.67
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 8/20 0.59
NPC1 O15118 5/20 0.59
GAA P10253 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
GLA P06280 1/20 0.51
TP53 P04637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 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
SCHEMBL24733341 0.88 KDM4E (0.74) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL1494878 0.86 KDM4E (0.78) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL1514674 0.85 KDM4E (0.77) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL5263823 0.82 HRH3 (0.61) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL1494779 0.81 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL1494896 0.80 ALDH1A1 (0.71) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL5260013 0.80 HRH3 (0.65) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL5413898 0.80 HRH3 (1.00) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL5417645 0.80 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1HRH3
SCHEMBL5419331 0.78 HRH3 (0.80) KDM4EALDH1A1KMT2AMEN1HRH3

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-20050085501-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J G (US) 2005-04-21 US claimed
US-7199117-B2 Phenyl-substituted imidazopyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-04-03 US disclosed
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-20050049277-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-03-03 US disclosed
US-20050043348-A1 Phenyl-substituted imidazopyridines BREITENBUCHER J GUY (US) 2005-02-24 US disclosed
US-20020006934-A1 Phenyl-substituted imidazopyridines ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 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 (5 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 KDM4E 1467/4885ALDH1A1 767/4885KMT2A 2545/4885
US-20050085502-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 KDM4E 1467/4885ALDH1A1 767/4885KMT2A 2545/4885
US-20050085501-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 KDM4E 1467/4885ALDH1A1 767/4885KMT2A 2545/4885
US-20050049277-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 KDM4E 1467/4885ALDH1A1 767/4885KMT2A 2545/4885
US-20020006934-A1 Phenyl-substituted imidazopyridines AADAC, DPP4, DPP3 KDM4E 1467/4885ALDH1A1 767/4885KMT2A 2545/4885

“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.