SCHEMBL638378

SCHEMBL638378

O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
BCHE P06276 8/20 0.51
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL637451 1.00 ALDH1A1 (0.51) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL10157792 1.00 ALDH1A1 (0.51) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL637450 1.00 ALDH1A1 (0.51) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL636802 0.88 MAPT (0.48) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL13574484 0.88 MAPT (0.48) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL636803 0.88 MAPT (0.48) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL12374904 0.87 BCHE (0.44) ALDH1A1BCHEMAPTGAAPTPN2
SCHEMBL10195517 0.86 BCHE (0.44) ALDH1A1BCHEGAAPTPN2PTPN1
SCHEMBL10194427 0.86 BCHE (0.44) ALDH1A1BCHEGAAPTPN2PTPN1
SCHEMBL638113 0.84 CYP1A2 (0.46) BCHE

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 5 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-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
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.