SCHEMBL4399147

SCHEMBL4399147

CCCNC(=O)c1nn(C(C)(C)C)c2nc(NC(=O)c3cccc(C)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.41
IDE P14735 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KIFC1 Q9BW19 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA2 P47869 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 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
SCHEMBL3961441 0.89 RAB9A (0.41) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL4399145 0.85 GRM5 (0.47) GRM5NPC1RAB9AIDEKMT2A
SCHEMBL4401795 0.76 RAB9A (0.40) NPC1RAB9ATP53SMN1; SMN2RET
SCHEMBL4396434 0.76 RET (0.42) GRM5NPC1RAB9AKMT2AMEN1
SCHEMBL4401787 0.76 KMT2A (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4394525 0.74 RAB9A (0.40) GRM5NPC1RAB9ATP53L3MBTL1
SCHEMBL4391355 0.74 TP53 (0.47) GRM5NPC1RAB9ATP53KMT2A
SCHEMBL4391900 0.74 SIRT1 (0.59) NPC1RAB9AATMKMT2AMEN1
SCHEMBL4391588 0.73 KMT2A (0.55) TP53KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL4394567 0.73 RAB9A (0.42) NPC1RAB9ATP53KMT2ASMN1; SMN2

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 GRM5 54/4885NPC1 76/4885RAB9A 1214/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A GRM5 31/4885NPC1 308/4885RAB9A 1054/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP GRM5 87/4885NPC1 256/4885RAB9A 808/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP GRM5 2664/4885NPC1 3748/4885RAB9A 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.