SCHEMBL4397403

SCHEMBL4397403

CCc1ccc(C(=O)Nc2ccc3c(C(=O)N[C@H](C)COC)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
DEGS1 O15121 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
NAMPT P43490 5/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
MAP3K5 Q99683 1/20 0.34

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
SCHEMBL3834107 1.00 RET (0.39) RETHPGDALDH1A1HTTRAB9A
SCHEMBL4395549 0.91 RAB9A (0.40) RETHPGDALDH1A1HTTRAB9A
SCHEMBL4395555 0.91 RAB9A (0.40) RETHPGDALDH1A1HTTRAB9A
SCHEMBL3834103 0.89 RET (0.38) RETHPGDKDM4EMAPTMEN1
SCHEMBL3834104 0.89 RET (0.38) RETHPGDKDM4EMAPTMEN1
SCHEMBL4399153 0.86 ALDH1A1 (0.39) HPGDALDH1A1HTTRAB9ADEGS1
SCHEMBL4399155 0.86 ALDH1A1 (0.39) HPGDALDH1A1HTTRAB9ADEGS1
SCHEMBL4399299 0.83 MAPT (0.44) HPGDALDH1A1HTTRAB9AKDM4E
SCHEMBL3830200 0.83 MAPT (0.44) HPGDALDH1A1HTTRAB9AKDM4E
SCHEMBL3833164 0.80 RAB9A (0.42) RAB9AKDM4EMEN1KMT2APOLB

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 RET 4670/4885HPGD 1508/4885ALDH1A1 2105/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RET 4669/4885HPGD 2132/4885ALDH1A1 2253/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RET 4484/4885HPGD 2658/4885ALDH1A1 2944/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RET 1981/4885HPGD 406/4885ALDH1A1 1240/4885

“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.