SCHEMBL10194014

SCHEMBL10194014

CCCCCCON(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 6/20 0.43
LPAR2 Q9HBW0 5/20 0.43
LPAR1 Q92633 2/20 0.43
NAAA Q02083 1/20 0.43
TSHR P16473 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CES2 O00748 1/20 0.41
GBA1 P04062 1/20 0.41
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12348536 1.00 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL24175245 1.00 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL11923393 0.97
SCHEMBL8302984 0.89
SCHEMBL12426628 0.85 TSHR (0.52) THRBMEN1HTTKMT2AMAPT
SCHEMBL14874595 0.81 CA12 (0.48) THRBMEN1HTTKMT2AMAPT
SCHEMBL1864784 0.81 CA12 (0.48) THRBMEN1HTTKMT2AMAPT
SCHEMBL21114427 0.81 CA12 (0.48) THRBMEN1HTTKMT2AMAPT
SCHEMBL11705765 0.81 CA12 (0.48) THRBMEN1HTTKMT2AMAPT
SCHEMBL10407022 0.81 CA12 (0.48) THRBMEN1HTTKMT2AMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
WO-2010015447-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-02-11 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
WO-2009098113-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2009-08-13 WO disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 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 (4 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 THRB 190/4885MEN1 2583/4885HTT 4243/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 THRB 615/4885MEN1 2133/4885HTT 2300/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 THRB 2593/4885MEN1 615/4885HTT 4103/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 THRB 2627/4885MEN1 1323/4885HTT 2677/4885

“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.