SCHEMBL2760441

SCHEMBL2760441

N#CSc1c(N=O)cc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP2A6 P11509 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
PTGS2 P35354 1/20 0.35
PDE5A O76074 1/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL222788 0.89 CYP11B2 (0.49) CYP11B2CYP11B1ALDH1A1CYP2A6POLB
SCHEMBL223188 0.78 ABCB1 (0.47) CYP11B2CYP11B1MAPTLMNAMEN1
SCHEMBL27769120 0.77 MAPK1 (0.39) CYP11B2CYP11B1ALDH1A1CYP2A6POLB
SCHEMBL27769119 0.72 CYP11B2 (0.45) CYP11B2CYP11B1ALDH1A1CYP2A6POLB
SCHEMBL222287 0.70 CYP11B1 (0.55) CYP11B2CYP11B1ALDH1A1MAPTCYP2A6
SCHEMBL1663904 0.69 CYP11B1 (0.57) CYP11B2CYP11B1ALDH1A1CYP2A6MEN1
SCHEMBL77083 0.68 TDP1 (0.67) CYP11B2CYP11B1ALDH1A1MAPTCYP2A6
SCHEMBL29580441 0.68 TDP1 (0.67) CYP11B2CYP11B1ALDH1A1MAPTCYP2A6
SCHEMBL12509851 0.67 CYP2A6 (0.52) CYP11B2CYP11B1ALDH1A1MAPTHPGD
SCHEMBL12264113 0.67 CYP2A6 (0.52) CYP11B2CYP11B1ALDH1A1MAPTHPGD

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-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CYP11B2 1907/4885CYP11B1 1681/4885ALDH1A1 2843/4885

“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.