SCHEMBL638385

SCHEMBL638385

COC(=O)C1CC(O[N+](=O)[O-])CC(O[N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
GSR P00390 6/20 0.38
CA2 P00918 3/20 0.37
MAPT P10636 4/20 0.37
BCHE P06276 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL637878 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL637048 0.83 GSR (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2012744 0.83 SMN1; SMN2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2011707 0.81 MAPT (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13339192 0.81 MAPT (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2410551 0.79 GSR (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2409674 0.79 GSR (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL636592 0.79 GSR (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1919313 0.79 GSR (0.42) GSRCA2MAPT
SCHEMBL636731 0.79 GSR (0.42) GSRCA2MAPT

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
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 CHRNB2 331/4885CHRNA4 92/4885CHRNB4 242/4885

“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.