SCHEMBL3832183

SCHEMBL3832183

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4ccco4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 3/20 0.47
POLB P06746 5/20 0.46
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3832179 0.89 MAPT (0.50) TDP1ALDH1A1KMT2APOLBKDM4E
SCHEMBL3833079 0.86 POLB (0.39) TDP1ALDH1A1KMT2APOLBMAPT
SCHEMBL5469584 0.85 SMN1; SMN2 (0.41) TDP1ALDH1A1KMT2APOLBKDM4E
SCHEMBL4391476 0.85 KMT2A (0.47) ALDH1A1KMT2APOLBMAPTNPC1
SCHEMBL4391744 0.84 RAB9A (0.42) KMT2APOLBKDM4EMAPTNPC1
SCHEMBL4400720 0.83 NAMPT (0.48) TDP1ALDH1A1KMT2APOLBNPC1
SCHEMBL14357193 0.82 TDP1 (0.53) TDP1ALDH1A1KMT2APOLBKDM4E
SCHEMBL4397267 0.82 HPGD (0.47) ALDH1A1KMT2APOLBKDM4ENPC1
SCHEMBL3833014 0.82 RAB9A (0.41) ALDH1A1KMT2APOLBKDM4EMAPT
SCHEMBL4393053 0.82 ADORA2A (0.42) KMT2APOLBMAPTNPC1RAB9A

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
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP 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
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 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 (3 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 TDP1 1037/4885ALDH1A1 2105/4885KMT2A 651/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A TDP1 2476/4885ALDH1A1 2253/4885KMT2A 464/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP TDP1 1064/4885ALDH1A1 2944/4885KMT2A 426/4885

“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.