SCHEMBL4399138

SCHEMBL4399138

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4c[nH]c5ccccc45)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.47
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
LMNA P02545 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4391900 0.92 SIRT1 (0.59) SIRT1CDK4CCND1LMNAKMT2A
SCHEMBL4794216 0.89 PTGS2 (0.47) SIRT1CDK4CCND1KMT2AMEN1
SCHEMBL4391355 0.81 TP53 (0.47) LMNAKMT2AMEN1ALDH1A1NPC1
SCHEMBL4795639 0.81 PTGS2 (0.59) SIRT1CDK4CCND1KMT2AMEN1
SCHEMBL4391588 0.81 KMT2A (0.55) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL3961441 0.80 RAB9A (0.41) KMT2AMEN1NPC1RAB9A
SCHEMBL4401795 0.79 RAB9A (0.40) LMNAMAPTALDH1A1HDAC4NPC1
SCHEMBL4391824 0.77 RAB9A (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL3961436 0.76 RAB9A (0.42) LMNAKMT2AMEN1MAPTNPC1
SCHEMBL4394525 0.75 RAB9A (0.40) LMNAMAPTHDAC4NPC1RAB9A

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 6 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
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO 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 SIRT1 168/4885CDK4 3256/4885CCND1 4833/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SIRT1 581/4885CDK4 4089/4885CCND1 4860/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SIRT1 1627/4885CDK4 3679/4885CCND1 4413/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP SIRT1 2132/4885CDK4 199/4885CCND1 2319/4885

“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.