SCHEMBL3490659

SCHEMBL3490659

O=C(O)[C@@H]1CC[C@H](O[N+](=O)[O-])C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 9/20 0.39
CA2 P00918 3/20 0.38
ACE P12821 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
GABRR1 P24046 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL3494197 1.00 GSR (0.39) GSRCA2ACEAKR1C3AKR1C1
SCHEMBL2468716 1.00 GSR (0.39) GSRCA2ACEAKR1C3AKR1C1
SCHEMBL2009656 0.89 GSR (0.38) GSRCA2LMNATSHR
SCHEMBL2012678 0.88 GSR (0.42) GSRCA2PLGPLATLMNA
SCHEMBL23927596 0.88 GSR (0.42) GSRCA2PLGPLATLMNA
Hydrochloric Acid SCHEMBL9129504 0.86 GSR (0.41) GSRCA2PLGPLATLMNA
SCHEMBL1920541 0.86 GSR (0.43) GSRCA2GABRR1MAPTALDH1A1
SCHEMBL636730 0.84 GSR (0.42) GSRCA2GABRR1MAPTALDH1A1
SCHEMBL1919313 0.84 GSR (0.42) GSRCA2GABRR1MAPTALDH1A1
SCHEMBL636731 0.84 GSR (0.42) GSRCA2GABRR1MAPTALDH1A1

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 4 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 claimed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US claimed
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP 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 GSR 1191/4885CA2 291/4885ACE 1058/4885

“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.