SCHEMBL204674

SCHEMBL204674

O=[N+]([O-])c1ccc2c3ccc([N+](=O)[O-])cc3[s+]([O-])c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
DAO P14920 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
S100A4 P26447 2/20 0.44
PTPRC P08575 1/20 0.44
PARP1 P09874 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3088067 0.91 MAPT (0.50) TSHRLMNADAOALDH1A1TDP1
SCHEMBL4918857 0.89 SNCA (0.44) TSHRLMNADAOALDH1A1TDP1
SCHEMBL11293646 0.80 MAPT (0.47) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL11244582 0.78 MAPT (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL12553301 0.76 ALDH1A1 (0.41) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL6993736 0.74 MEN1 (0.41) TSHRLMNADAOALDH1A1TDP1
SCHEMBL10432083 0.72 KIF11 (0.43) TSHRLMNADAOALDH1A1TDP1
SCHEMBL311661 0.70 S100A4 (0.68) TSHRLMNADAOALDH1A1TDP1
SCHEMBL9488144 0.69 CYP3A4 (0.49) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL10311827 0.69 TSHR (0.48) TSHRLMNAALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
EP-3309157-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2019-09-04 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-4293628-A Electrophotographic elements containing disazo compounds RICOH CO., LTD. (JP) 1981-10-06 US disclosed
US-4279981-A Electrophotographic elements containing trisazo compounds RICOH COMPANY, LTD. (JP) 1981-07-21 US disclosed
US-4272598-A STYRYL DYES RICOH CO., LTD. (JP) 1981-06-09 US disclosed
US-4268596-A Electrophotographic element having 1,4-bis(azostyryl)-2,5 dimethoxy benzene compounds as photoconductors RICOH COMPANY, LTD. (JP) 1981-05-19 US disclosed
US-4260672-A Electrophotographic sensitive element having a photoconductive disazo pigment RICOH COMPANY, LTD. (JP) 1981-04-07 US disclosed
US-4251613-A LAMINATE OF CONDUCTIVE SUPPORT AND PHOTOSENSITIVE LAYER RICOH COMPANY, LTD. (JP) 1981-02-17 US disclosed
US-4251614-A CARBAZOLE DERIVATIVES RICOH COMPANY, LTD. (JP) 1981-02-17 US disclosed
US-4247614-A Electrophotographic element containing a disazo pigment RICOH CO., LTD. (JP) 1981-01-27 US disclosed
US-4242260-A ELECTROGRAPHY; PHOTOCONDUCTIVITY RICOH COMPANY, LTD. (JP) 1980-12-30 US disclosed
US-4229511-A Electrophotography with uniform exposure for residual potential RICOH COMPANY, LTD. (JP) 1980-10-21 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 (1 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TSHR 4853/4885LMNA 1353/4885DAO 1271/4885

“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.