SCHEMBL4397267

SCHEMBL4397267

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4ccccn4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
AGTR1 P30556 1/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL4391476 0.87 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL4905992 0.87 NPC1 (0.49) SMN1; SMN2KDM4EKMT2ARAB9AL3MBTL1
SCHEMBL3813358 0.87 SMN1; SMN2 (0.46) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4393053 0.87 ADORA2A (0.42) HPGDKMT2ARAB9ANPC1POLB
SCHEMBL4401748 0.86 NPC1 (0.44) SMN1; SMN2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL4400720 0.85 NAMPT (0.48) HPGDSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL3833079 0.84 POLB (0.39) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL4391744 0.84 RAB9A (0.42) SMN1; SMN2KDM4EKMT2ARAB9AL3MBTL1
SCHEMBL14357147 0.83 KMT2A (0.46) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL3832183 0.82 TDP1 (0.53) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A

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 3 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-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 HPGD 1508/4885SMN1; SMN2 614/4885KDM4E 2349/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A HPGD 2132/4885SMN1; SMN2 1292/4885KDM4E 1625/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP HPGD 2658/4885SMN1; SMN2 31/4885KDM4E 1641/4885

“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.