SCHEMBL1114448

SCHEMBL1114448

CN1C(C)(C)CC(=NO)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CHRNA7 P36544 1/20 0.32
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL1681681 0.80 ALDH1A1 (0.50) ALDH1A1CHRNA7TSHRCASP1
SCHEMBL8272522 0.76 ALDH1A1 (0.41) ALDH1A1CHRNA7CASP1
SCHEMBL9163070 0.75 ALDH1A1 (0.45) ALDH1A1
SCHEMBL4278112 0.73 ALDH1A1 (0.67) ALDH1A1CHRNA7TSHRCASP1
SCHEMBL12267516 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6036829 0.69 ALDH1A1 (0.54) ALDH1A1CHRNA7TSHRCASP1
SCHEMBL4877698 0.67 ALDH1A1 (1.00) ALDH1A1TSHRCASP1
SCHEMBL31457165 0.66 ALDH1A1 (0.50) ALDH1A1CHRNA7TSHRCASP1
SCHEMBL1814854 0.65 ALDH1A1 (0.40) ALDH1A1
SCHEMBL578932 0.65 GAA (0.35) TSHR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945309-B New nitroso compound and application thereof as nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-06-04 CN disclosed
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
CN-104945309-A Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2015-09-30 CN disclosed
CN-102076342-B Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2015-06-10 CN 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
WO-1998001443-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM S.P.A. (IT) 1998-01-15 WO disclosed
US-5679794-A ACTINIC LIGHT RESISTANCE, PROCESSING HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1997-10-21 US disclosed
US-5668198-A Polymer stabilizers containing both hindered amine and hydroxylamine moieties CIBA-GEIGY CORPORATION (US) 1997-09-16 US disclosed
US-5668199-A Polymer stabilizers containing both hindered amine and hydroxylamine moieties CIBA-GEIGY CORPORATION (US) 1997-09-16 US disclosed
US-5410047-A A 2-hydroxyamino-4,6-substituted triazine as light stabilizers for polymers; radiation resistance, oxidation resistance, discoloration inhibition CIBA-GEIGY CORPORATION (US) 1995-04-25 US disclosed
EP-0413665-B1 Polymer stabilizers containing both hindered amine and nitrone moieties CIBA GEIGY AG (CH) 1995-04-05 EP disclosed
EP-0427672-B1 POLYMER STABILIZERS CONTAINING BOTH HINDERED AMINE AND HYDROXYLAMINE MOIETIES CIBA-GEIGY AG (CH) 1993-09-29 EP disclosed
US-5202441-A Heat resistance, photostability CIBA-GEIGY CORPORATION (US) 1993-04-13 US disclosed
EP-0427672-A1 Polymer stabilizers containing both hindered amine and hydroxylamine moieties CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4972009-A PHOTOSTABILIZERS FOR POLYMERS, RADIATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1990-11-20 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 (2 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 ALDH1A1 624/4885CHRNA7 2820/4885TSHR 3830/4885
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 ALDH1A1 624/4885CHRNA7 2820/4885TSHR 3830/4885

“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.