SCHEMBL1114629

SCHEMBL1114629

O=C(O)C(CCBr)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CPA3 P15088 3/20 0.68
CPA1 P15085 7/20 0.64
FOLH1 Q04609 3/20 0.64
CPB1 P15086 1/20 0.61
CPB2 Q96IY4 1/20 0.61
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MME P08473 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.51

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
SCHEMBL6724759 0.88 CYP1A2 (0.83) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL12494233 0.88 CYP1A2 (0.83) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL19821208 0.88 CYP1A2 (0.83) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL2121039 0.87 FOLH1 (0.68) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL6869749 0.86 FOLH1 (0.66) CYP1A2CPA3CPA1FOLH1CPB1
Hydrochloric Acid SCHEMBL6717346 0.86 CYP1A2 (0.79) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL11664393 0.84 FOLH1 (0.79) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL3818360 0.84 CYP1A2 (0.76) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL4611801 0.84 CYP1A2 (0.76) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL4664822 0.83 CYP1A2 (1.00) CYP1A2CPA3CPA1FOLH1CPB1

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 37 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
CN-105646637-A Abiraterone derivative, preparation method and medical applications thereof 四川海思科制药有限公司 2016-06-08 CN 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
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 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 CYP1A2 2023/4885CPA3 4253/4885CPA1 4395/4885
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 CYP1A2 2023/4885CPA3 4253/4885CPA1 4395/4885

“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.