SCHEMBL3790646

SCHEMBL3790646

CCSc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HPGD P15428 2/20 0.38
BACE1 P56817 2/20 0.38
PRMT3 O60678 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL29707978 1.00 RAB9A (0.42) RAB9ALMNAPOLBNPC1SMN1; SMN2
SCHEMBL10144132 0.82 PTGS2 (0.47) RAB9ALMNAPOLBNPC1SMN1; SMN2
SCHEMBL9793625 0.82 S100A4 (0.41) LMNANPC1GAAHSD17B10ALDH1A1
SCHEMBL3780613 0.80 ALDH1A1 (0.38) LMNAPOLBALDH1A1TSHRNOS3
SCHEMBL8088430 0.80 ALDH1A1 (0.43) LMNAPOLBSMN1; SMN2ALDH1A1NOS3
SCHEMBL30753726 0.80 LMNA (0.45) RAB9ALMNAPOLBNPC1SMN1; SMN2
SCHEMBL10986918 0.80 LMNA (0.45) RAB9ALMNAPOLBNPC1SMN1; SMN2
SCHEMBL9177177 0.79 HSP90AA1 (0.37) LMNAALDH1A1TSHRNOS3NOS1
SCHEMBL3793543 0.79 ALDH1A1 (0.38) LMNAPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL19002781 0.79 PTGS2 (0.51) RAB9ALMNAPOLBNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567331-A Synthesis method of 1, 2-dithioethane compound and 1, 4-dithiane 河北北方学院 2024-02-20 CN 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
WO-2021195278-A1 TRICYCLIC INHIBITORS OF INFLUENZA VIRUS ENDONUCLEASE WEBB THOMAS R (US) 2021-09-30 WO disclosed
EP-3427728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2021-07-07 EP disclosed
WO-2020232401-A1 COMBINATION THERAPIES WITH IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY (US) 2020-11-19 WO disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 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-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 US disclosed
EP-2945621-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2015-11-25 EP disclosed
WO-2014113700-A9 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
WO-2014113700-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-24 WO disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-100460397-C Sulfur-containing quinoxaline dioxide, method for producing same and their application UNIV ZHEJIANG (CN) 2009-02-11 CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-1951923-A Sulfur-containing quinoxaline dioxide, method for producing same and their application UNIV ZHEJIANG (CN) 2007-04-25 CN disclosed
US-6063816-A Hydroxamic acid compounds ADIR ET COMPAGNIE (FR) 2000-05-16 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 (7 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 RAB9A 3470/4885LMNA 4235/4885POLB 3271/4885
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 RAB9A 1126/4885LMNA 3141/4885POLB 2739/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 RAB9A 1126/4885LMNA 3141/4885POLB 2739/4885
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 RAB9A 1126/4885LMNA 3141/4885POLB 2739/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 RAB9A 1357/4885LMNA 3250/4885POLB 2303/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB RAB9A 1547/4885LMNA 4447/4885POLB 4519/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 RAB9A 1126/4885LMNA 3141/4885POLB 2739/4885

“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.