SCHEMBL4391900

SCHEMBL4391900

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCCc4c[nH]c5ccccc45)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.59
CDK4 P11802 5/20 0.57
CCND1 P24385 5/20 0.57
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS2 P35354 2/20 0.49
ATM Q13315 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
TRPV1 Q8NER1 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
PTGS1 P23219 1/20 0.47

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
SCHEMBL4399138 0.92 SIRT1 (0.47) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL4795639 0.90 PTGS2 (0.59) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL3961441 0.82 RAB9A (0.41) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4794216 0.81 PTGS2 (0.47) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL4401787 0.80 KMT2A (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4401795 0.78 RAB9A (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4391355 0.77 TP53 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4391588 0.76 KMT2A (0.55) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4391824 0.76 RAB9A (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4394567 0.75 RAB9A (0.42) NPC1RAB9AKMT2AALDH1A1LMNA

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 7 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
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 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.