SCHEMBL4873699

SCHEMBL4873699

NC(C(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MDM2 Q00987 1/20 0.41
MAPK1 P28482 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
KMO O15229 1/20 0.40

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
Hydrochloric Acid SCHEMBL163241 0.98 TDP1 (0.44) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL4363316 0.79 TDP1 (0.48) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL6652948 0.78 CES2 (0.50) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10353222 0.78 TDP1 (0.47) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL23706328 0.76 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL571674 0.76 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL599311 0.76 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL6081855 0.76 PGR (0.46) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10580248 0.76 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL3645803 0.76 TDP1 (0.45) TDP1L3MBTL1CES2CES1LMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886811-B Electrolyte for driving electrolytic capacitor and the electrolytic capacitor RUBYCON CORP 2011-07-27 CN claimed
CN-1886811-A Electrolytic capacitor and electrolytic solution for driving the same RUBYCON CORP (JP) 2006-12-27 CN claimed
CN-1886811-B Electrolyte for driving electrolytic capacitor and the electrolytic capacitor RUBYCON CORP 2011-07-27 CN disclosed
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7220745-B2 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS (US) 2007-05-22 US disclosed
CN-1886811-A Electrolytic capacitor and electrolytic solution for driving the same RUBYCON CORP (JP) 2006-12-27 CN disclosed
EP-1641452-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV Rigel Pharmaceuticals (US) 2006-04-05 EP disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 EP disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US disclosed
WO-2004103366-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV RIGEL PHARMACEUTICALS (US) 2004-12-02 WO disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 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-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS TDP1 3554/4885L3MBTL1 3865/4885CES2 782/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS TDP1 4097/4885L3MBTL1 2576/4885CES2 2020/4885

“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.