SCHEMBL636802

SCHEMBL636802

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
BCHE P06276 4/20 0.45
GAA P10253 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
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
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL636803 1.00 MAPT (0.48) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL13574484 1.00 MAPT (0.48) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL10157792 0.88 ALDH1A1 (0.51) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL638378 0.88 ALDH1A1 (0.51) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL637450 0.88 ALDH1A1 (0.51) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL637451 0.88 ALDH1A1 (0.51) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL12374904 0.87 BCHE (0.44) MAPTBCHEGAAPTPN2PTPN1
SCHEMBL10195517 0.86 BCHE (0.44) BCHEGAAPTPN2PTPN1ALDH1A1
SCHEMBL10194427 0.86 BCHE (0.44) BCHEGAAPTPN2PTPN1ALDH1A1
SCHEMBL18589233 0.83 MAPT (0.54) MAPTBCHEALDH1A1POLBPKM

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 17 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
EP-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
EP-2326652-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP disclosed
EP-2313417-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2011-04-27 EP disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
WO-2010014516-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK & CO., INC. (US) 2010-02-04 WO disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
WO-2009150007-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-12-17 WO 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 (3 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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT MAPT 3856/4885BCHE 2032/4885GAA 4067/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 MAPT 4222/4885BCHE 2877/4885GAA 4350/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 MAPT 4444/4885BCHE 951/4885GAA 2529/4885

“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.