SCHEMBL4398049

SCHEMBL4398049

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK25 O00506 1/20 0.44
POLB P06746 1/20 0.42
GRM5 P41594 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAP3K5 Q99683 1/20 0.40
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1F P30939 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3831275 0.91 ALDH1A1 (0.48) POLBKMT2AMEN1RAB9ANPC1
SCHEMBL4402104 0.85 RAB9A (0.45) POLBKMT2AMEN1RAB9ANPC1
SCHEMBL3822085 0.84 KMT2A (0.44) STK25POLBGRM5KMT2AMEN1
SCHEMBL3833164 0.84 RAB9A (0.42) POLBKMT2AMEN1RAB9ANPC1
SCHEMBL3833978 0.82 RAB9A (0.43) POLBRAB9ANPC1MAP3K5KDM4E
SCHEMBL3831731 0.82 NPC1 (0.46) POLBRAB9ANPC1MAP3K5HPGD
SCHEMBL3827686 0.82 RAB9A (0.42) POLBKMT2ARAB9ANPC1MAP3K5
SCHEMBL4391744 0.82 RAB9A (0.42) POLBKMT2ARAB9ANPC1MAP3K5
SCHEMBL4391811 0.81 ALDH1A1 (0.36) POLBKMT2AMEN1RAB9ANPC1
SCHEMBL4391724 0.81 CTNNB1 (0.40) POLBKMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (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-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 STK25 3615/4885POLB 4081/4885GRM5 54/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A STK25 3070/4885POLB 4164/4885GRM5 31/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP STK25 3423/4885POLB 3487/4885GRM5 87/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP STK25 883/4885POLB 135/4885GRM5 2664/4885

“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.