SCHEMBL4399299

SCHEMBL4399299

CC[C@H](C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
MAP3K5 Q99683 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL3830200 1.00 MAPT (0.44) MAPTKDM4ERECQLRAB9ANPC1
SCHEMBL4398009 0.91 RAB9A (0.40) MAPTKDM4ERECQLRAB9ANPC1
SCHEMBL3828162 0.91 MLYCD (0.39) MAPTKDM4ERECQLRAB9ANPC1
SCHEMBL4400971 0.91 MLYCD (0.39) MAPTKDM4ERECQLRAB9ANPC1
SCHEMBL3833164 0.90 RAB9A (0.42) KDM4ERAB9ANPC1MAP3K5TP53
SCHEMBL4395549 0.90 RAB9A (0.40) MAPTKDM4ERECQLRAB9ANPC1
SCHEMBL4395555 0.90 RAB9A (0.40) MAPTKDM4ERECQLRAB9ANPC1
SCHEMBL4396819 0.88 RAB9A (0.41) KDM4ERAB9ANPC1MAP3K5NPSR1
SCHEMBL4396816 0.88 RAB9A (0.41) KDM4ERAB9ANPC1MAP3K5NPSR1
SCHEMBL3830189 0.87 MAPT (0.37) MAPTKDM4ERECQLTP53SMN1; SMN2

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-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
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 MAPT 7/4885KDM4E 2349/4885RECQL 674/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MAPT 101/4885KDM4E 1625/4885RECQL 3606/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MAPT 9/4885KDM4E 1641/4885RECQL 777/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP MAPT 1982/4885KDM4E 3660/4885RECQL 572/4885

“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.