SCHEMBL1114359

SCHEMBL1114359

O=C(c1ccccc1)N1CCC(=NO)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
SIGMAR1 Q99720 1/20 0.56
ACHE P22303 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
BLM P54132 1/20 0.51
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
EPHX1 P07099 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL252026 0.80 HPGD (0.79) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL7129676 0.80 HPGD (0.79) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL13182763 0.79 HPGD (0.66) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL263534 0.79 HPGD (0.66) HPGDSIGMAR1ACHEUSP2ALDH1A1
Hydrochloric Acid SCHEMBL1597472 0.78 HPGD (0.76) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL28469739 0.78 HPGD (0.63) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL7776187 0.78 HPGD (0.63) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL8104004 0.78 POLB (0.68) HPGDALDH1A1GAAPOLB
SCHEMBL1263133 0.77 HPGD (0.88) HPGDSIGMAR1ACHEUSP2ALDH1A1
SCHEMBL18228404 0.77 HPGD (0.96) HPGDSIGMAR1ACHEUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9725402-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3067352-A2 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2016-09-14 EP disclosed
EP-2278975-B1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC (US) 2016-09-07 EP disclosed
US-20160052862-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2016-02-25 US disclosed
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2014-11-13 US disclosed
US-8791134-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2013-02-21 US disclosed
US-8318705-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
EP-2278975-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2011-02-02 EP disclosed
WO-2009137717-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC. (US) 2009-11-12 WO disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 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 (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-20160052862-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 HPGD 21/4885SIGMAR1 2050/4885ACHE 4141/4885
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 HPGD 21/4885SIGMAR1 2050/4885ACHE 4141/4885
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 HPGD 21/4885SIGMAR1 2050/4885ACHE 4141/4885
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof NOXO1, TNNI3, HAO2 HPGD 21/4885SIGMAR1 2050/4885ACHE 4141/4885

“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.