SCHEMBL4089267

SCHEMBL4089267

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(Cl)c([N+](=O)[O-])cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
PGK1 P00558 1/20 0.35
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 4/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MET P08581 2/20 0.32
HPGD P15428 1/20 0.31
SLC9A1 P19634 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TTK P33981 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4948050 0.92 LMNA (0.38) LMNAPGK1ALDH1A1MAPTEGLN1
SCHEMBL4091251 0.83 AURKA (0.35) AURKACDK2MAPTNPC1RAB9A
SCHEMBL18459405 0.81 BRD4 (0.42) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL4946449 0.74 KDM4E (0.31) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL481590 0.73 BACE1 (0.41) AURKACDK2
SCHEMBL2779797 0.73 NR1H2 (0.39) AURKACDK2ALDH1A1MAPTHPGD
SCHEMBL30781510 0.73 NR1H2 (0.39) AURKACDK2ALDH1A1MAPTHPGD
SCHEMBL14920239 0.73 BACE1 (0.41) ALDH1A1MAPTNPC1RAB9A
SCHEMBL31431751 0.73 NR1H2 (0.39) AURKACDK2ALDH1A1HTT
SCHEMBL10299255 0.73 L3MBTL1 (0.45) ALDH1A1MAPTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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 (1 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 LMNA 1257/4885PGK1 787/4885AURKA 2222/4885

“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.