SCHEMBL6234559

SCHEMBL6234559

O=C1NCCc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
ADRA2A P08913 1/20 0.51
PNMT P11086 1/20 0.51
KIF11 P52732 1/20 0.46
TDP2 O95551 1/20 0.46
CAPN9 O14815 1/20 0.45
CASP3 P42574 1/20 0.45
PGR P06401 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.41
CTSL P07711 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL200716 0.85 PNMT (0.58) SIRT2ADRA2APNMTKIF11TDP2
SCHEMBL27408384 0.84 PNMT (0.54) SIRT2ADRA2APNMTKIF11TDP2
SCHEMBL16972804 0.84 PDE3B (0.53) SIRT2ADRA2APNMTKIF11TDP2
Methane SCHEMBL27508397 0.84 PNMT (0.57) SIRT2ADRA2APNMTKIF11TDP2
Ammonia Solution, Strong SCHEMBL28209706 0.84 PNMT (0.57) SIRT2ADRA2APNMTKIF11TDP2
SCHEMBL516986 0.80 KIF11 (0.67) SIRT2ADRA2APNMTKIF11TDP2
Sulfuric Acid SCHEMBL29269875 0.79 PNMT (0.51) SIRT2ADRA2APNMTTDP2CAPN9
Butane SCHEMBL27459660 0.79 PNMT (0.51) SIRT2ADRA2APNMTTDP2MAPT
Acetaldehyde SCHEMBL27415337 0.79 PNMT (0.51) SIRT2ADRA2APNMTTDP2MAPT
Pyrimidine SCHEMBL28303381 0.78 ADRA2A (0.50) SIRT2ADRA2APNMTKIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 US disclosed
EP-1594495-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069245-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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 (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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL SIRT2 1558/4885ADRA2A 3793/4885PNMT 3757/4885

“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.