Iodobenzene

Iodobenzene

SCHEMBL4361216

CC(=O)OCC(COC(C)=O)N(CC(=O)O)C(C)=O.CC(=O)OCC(COC(C)=O)N(CC(=O)O)C(C)=O.Ic1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAOB P27338 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
G6PD P11413 1/20 0.32
SLC6A9 P48067 1/20 0.32
RAD52 P43351 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Iodobenzene SCHEMBL4350736 0.87 MAOB (0.43) ALDH1A1MAOBSMN1; SMN2GAAMAPT
SCHEMBL4356774 0.85 TDP1 (0.36) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
Iodobenzene SCHEMBL4358911 0.75 ALDH1A1 (0.43) ALDH1A1
Iodobenzene SCHEMBL1114451 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL13615861 0.73 TDP1 (0.37) ALDH1A1SMN1; SMN2MAPTPOLBTDP1
SCHEMBL1115090 0.70 TDP1 (0.37) ALDH1A1MAOBSLC6A9TDP1
Iodobenzene SCHEMBL27324928 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL13615197 0.69 TDP1 (0.34) ALDH1A1SMN1; SMN2MAPTTDP1
Iodobenzene SCHEMBL28157391 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAMAPT
Iodobenzene SCHEMBL4348106 0.68 TDP1 (0.45) ALDH1A1MAPTPOLBTDP1

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
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-9072796-B2 Method for preparing deuterated diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2015-07-07 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
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 ALDH1A1 624/4885MAOB 1004/4885SMN1; SMN2 1966/4885
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 ALDH1A1 624/4885MAOB 1004/4885SMN1; SMN2 1966/4885
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 ALDH1A1 624/4885MAOB 1004/4885SMN1; SMN2 1966/4885
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof NOXO1, TNNI3, HAO2 ALDH1A1 624/4885MAOB 1004/4885SMN1; SMN2 1966/4885

“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.