SCHEMBL4093611

SCHEMBL4093611

CC(C)(C)OC(=O)Nc1cccnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
FFAR2 O15552 1/20 0.44
METAP1 P53582 1/20 0.42
CYP17A1 P05093 3/20 0.42
RAB9A P51151 2/20 0.42
GOT1 P17174 1/20 0.42
ATR Q13535 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
LCK P06239 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 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
SCHEMBL31038470 1.00 NAMPT (0.46) NAMPTFFAR2METAP1CYP17A1RAB9A
SCHEMBL9370108 0.81 CYP17A1 (0.42) NAMPTMETAP1CYP17A1RAB9AATR
SCHEMBL23770979 0.80 NAMPT (0.50) NAMPTCYP17A1RAB9AATRJAK2
SCHEMBL30196114 0.80 NAMPT (0.50) NAMPTCYP17A1RAB9AATRJAK2
SCHEMBL29394473 0.80 LCK (0.47) NAMPTMETAP1RAB9AMEN1NPC1
SCHEMBL222110 0.79 NPC1 (0.58) RAB9AMEN1NPC1GAAKMT2A
SCHEMBL29695306 0.79 NPC1 (0.58) RAB9AMEN1NPC1GAAKMT2A
SCHEMBL21743166 0.78 L3MBTL1 (0.47) FFAR2RAB9AGOT1SIRT2NPC1
SCHEMBL1012144 0.77 KMT2A (0.53) FFAR2RAB9AGOT1NPC1GAA
SCHEMBL22523913 0.77 LCK (0.43) NAMPTMETAP1CYP17A1RAB9AATR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337178-A Compounds and uses thereof 福宏治疗公司 2024-01-02 CN disclosed
WO-2023225664-A1 LACTAM SUBSTITUTED IMIDAZOPYRIDAZINE IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-11-23 WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-7087629-B2 Useful activity against Gram-positive pathogens and, in particular, against various strains exhibiting resistance to vancomycin and against E. faecium strains resistant to both aminoglycosides and clinically used beta-lactams ASTRAZENECA AB (SE) 2006-08-08 US disclosed
CN-1165534-C Heterocyclyl amino methyloxazolidinones as antibacterials 2004-09-08 CN disclosed
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials ASTRAZENECA AB (SE) 2003-11-06 US disclosed
CN-1322203-A Heterocyclic aminomethyl oxazolidinones as antibacterial agents ASTRA ZENECA N V (SE) 2001-11-14 CN disclosed
EP-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO 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 (2 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R NAMPT 3066/4885FFAR2 179/4885METAP1 3633/4885
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials HDHD5, CYP8B1, LSS NAMPT 4760/4885FFAR2 2639/4885METAP1 3270/4885

“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.