SCHEMBL61103

SCHEMBL61103

O=C(c1ccco1)N1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.87
MAPK1 P28482 1/20 0.84
NPSR1 Q6W5P4 3/20 0.70
HTT P42858 1/20 0.70
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
GRM5 P41594 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 3/20 0.64
TSHR P16473 2/20 0.64
TP53 P04637 1/20 0.64
GAA P10253 1/20 0.62
PKM P14618 1/20 0.62
CYP1A2 P05177 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.59

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
SCHEMBL4748498 1.00 ALDH1A1 (0.87) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL16026437 0.90 ALDH1A1 (0.83) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL7663518 0.84 MAPK1 (0.66) ALDH1A1MAPK1NPSR1HTTGRM5
SCHEMBL1372144 0.84 ALDH1A1 (0.73) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL3099181 0.84 ALDH1A1 (0.73) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL9792219 0.84 ALDH1A1 (0.88) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL1275334 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL24479984 0.83 MAPK1 (0.65) ALDH1A1MAPK1NPSR1HTTNPC1
SCHEMBL28752 0.82 ALDH1A1 (0.66) ALDH1A1MAPK1NPSR1HTTSMN1; SMN2
SCHEMBL3093579 0.82 ALDH1A1 (0.71) ALDH1A1MAPK1NPSR1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
CN-110179777-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-07-15 CN disclosed
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
EP-3427728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2021-07-07 EP disclosed
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
EP-3427728-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2019-01-16 EP disclosed
EP-2945621-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
WO-2011026959-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 WO disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
CN-1271353-A Furan sulfonic acid derivatives and pharmaceutical compositions containing the same CENTAUR PHARMACEUTICALS INC (US) 2000-10-25 CN disclosed
EP-1005463-A1 FURANSULFONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-06-07 EP disclosed
US-5994396-A Furansulfonic acid derivatives and pharmaceutical compositions containing the same CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed
WO-1999009022-A1 FURANSULFONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-02-25 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 (9 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-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 ALDH1A1 954/4885MAPK1 3719/4885NPSR1 1162/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 ALDH1A1 470/4885MAPK1 1024/4885NPSR1 357/4885
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 ALDH1A1 954/4885MAPK1 3719/4885NPSR1 1162/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 ALDH1A1 954/4885MAPK1 3719/4885NPSR1 1162/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R ALDH1A1 2294/4885MAPK1 3894/4885NPSR1 165/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 ALDH1A1 1583/4885MAPK1 508/4885NPSR1 4144/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS ALDH1A1 382/4885MAPK1 1245/4885NPSR1 3748/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 ALDH1A1 954/4885MAPK1 3719/4885NPSR1 1162/4885
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 ALDH1A1 954/4885MAPK1 3719/4885NPSR1 1162/4885

“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.