SCHEMBL3491545

SCHEMBL3491545

O=C(O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.75
BCHE P06276 9/20 0.74
MAPT P10636 1/20 0.67
GSR P00390 4/20 0.41
CA2 P00918 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
SCHEMBL3494230 1.00 ALDH1A1 (0.75) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL3489939 1.00 ALDH1A1 (0.75) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL31538809 0.94 BCHE (0.71) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL7413928 0.88 ALDH1A1 (0.72) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL3491547 0.88 ALDH1A1 (0.72) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL3489944 0.88 ALDH1A1 (0.72) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL3489942 0.88 ALDH1A1 (0.72) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL7417455 0.88 ALDH1A1 (0.72) ALDH1A1BCHEMAPTGSRCA2
SCHEMBL3494232 0.88 ALDH1A1 (0.72) ALDH1A1BCHEMAPTGSRCA2
Isosorbide Dinitrate SCHEMBL309369 0.87 ALDH1A1 (1.00) ALDH1A1BCHEMAPTGSRCA2

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 ALDH1A1 2059/4885BCHE 2877/4885MAPT 4222/4885

“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.