SCHEMBL4391749

SCHEMBL4391749

CCCn1nc(C(=O)N(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4400724 0.85 P2RY14 (0.49) RAB9ANPC1ALDH1A1ADORA3ADORA2A
SCHEMBL4398483 0.85 NPC1 (0.42) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4391740 0.81 RAB9A (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4396440 0.78 ALDH1A1 (0.48) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4399421 0.78 ALDH1A1 (0.40) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4397264 0.73 NPC1 (0.39) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4398705 0.73 RAB9A (0.39) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4398540 0.72 ADORA3 (0.44) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4396932 0.72 ADORA3 (0.44) RAB9ANPC1KMT2AMEN1ADORA3
SCHEMBL5818038 0.71 GRM5 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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 4 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
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 RAB9A 1214/4885NPC1 76/4885KDM4E 2349/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885NPC1 308/4885KDM4E 1625/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885NPC1 256/4885KDM4E 1641/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885NPC1 3748/4885KDM4E 3660/4885

“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.