SCHEMBL4401787

SCHEMBL4401787

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCCc4cccnc4)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NAMPT P43490 6/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
PTAFR P25105 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MMP13 P45452 1/20 0.41
TBXAS1 P24557 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4391588 0.92 KMT2A (0.55) KMT2ANAMPTSMN1; SMN2ALDH1A1MMP13
SCHEMBL5822605 0.89 MAPT (0.46) NAMPTHDAC2HDAC8HDAC6JAK1
SCHEMBL3961441 0.84 RAB9A (0.41) KMT2ANAMPTRAB9ASMN1; SMN2NPC1
SCHEMBL14357068 0.83 KMT2A (0.44) KMT2ANAMPTRAB9ASMN1; SMN2NPC1
SCHEMBL4398524 0.81 NAMPT (0.41) KMT2ANAMPTRAB9ASMN1; SMN2NPC1
SCHEMBL5822526 0.80 TP53 (0.49) KMT2ANAMPTRAB9ASMN1; SMN2NPC1
SCHEMBL4391900 0.80 SIRT1 (0.59) KMT2ARAB9ANPC1ALDH1A1MEN1
SCHEMBL4401795 0.80 RAB9A (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4391355 0.79 TP53 (0.47) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4391824 0.78 RAB9A (0.45) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1

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
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
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 KMT2A 651/4885NAMPT 1238/4885RAB9A 1214/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KMT2A 464/4885NAMPT 1355/4885RAB9A 1054/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KMT2A 426/4885NAMPT 2406/4885RAB9A 808/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP KMT2A 4307/4885NAMPT 353/4885RAB9A 2588/4885

“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.