SCHEMBL4401748

SCHEMBL4401748

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NCc4nccs4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 2/20 0.40
PDE10A Q9Y233 1/20 0.39
RET P07949 1/20 0.39
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
PIK3CA P42336 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAP3K5 Q99683 1/20 0.36
ACKR3 P25106 1/20 0.36
PSMD14 O00487 1/20 0.35
STAMBP O95630 1/20 0.35

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
SCHEMBL4397267 0.86 HPGD (0.47) NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1
SCHEMBL4400720 0.85 NAMPT (0.48) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL5406042 0.84 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ADORA2AMAPK1
SCHEMBL3833079 0.84 POLB (0.39) NPC1RAB9ASMN1; SMN2ADORA2AMAPK1
SCHEMBL4391744 0.84 RAB9A (0.42) NPC1RAB9ASMN1; SMN2ADORA2ATP53
SCHEMBL4391476 0.84 KMT2A (0.47) NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1
SCHEMBL4393053 0.83 ADORA2A (0.42) NPC1RAB9AADORA2APOLBKMT2A
SCHEMBL3833014 0.82 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1
SCHEMBL4396910 0.82 RAB9A (0.40) NPC1RAB9ASMN1; SMN2ADORA2ATP53
SCHEMBL3832183 0.81 TDP1 (0.53) NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1

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 NPC1 76/4885RAB9A 1214/4885SMN1; SMN2 614/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A NPC1 308/4885RAB9A 1054/4885SMN1; SMN2 1292/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP NPC1 256/4885RAB9A 808/4885SMN1; SMN2 31/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP NPC1 3748/4885RAB9A 2588/4885SMN1; SMN2 2432/4885

“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.