SCHEMBL8309798

SCHEMBL8309798

CCCC(C(=O)OCC)n1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 7/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 5/20 0.38
ELANE P08246 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8310082 0.86 ELANE (0.39) L3MBTL1KMT2AALDH1A1GAAKDM4E
SCHEMBL14423554 0.84 L3MBTL1 (0.44) L3MBTL1RAB9AKMT2AALDH1A1GAA
SCHEMBL6028721 0.82 L3MBTL1 (0.43) L3MBTL1RAB9AKMT2AALDH1A1GAA
SCHEMBL7699724 0.78 ELANE (0.41) L3MBTL1KMT2AALDH1A1GAAKDM4E
SCHEMBL29062876 0.73 ALDH1A1 (0.42) L3MBTL1KMT2AALDH1A1KDM4EMAPT
SCHEMBL15799353 0.73 GAA (0.42) L3MBTL1KMT2AALDH1A1GAAKDM4E
SCHEMBL7284088 0.72 RAD52 (0.50) L3MBTL1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL8309803 0.72 CASP1 (0.36) KMT2AALDH1A1KDM4EMAPTELANE
SCHEMBL8309558 0.71 ELANE (0.35) KMT2AELANE
SCHEMBL15803985 0.71 GAA (0.45) L3MBTL1KMT2AALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 US disclosed
US-7504382-B2 Protease inhibitors for coronaviruses and SARS-CoV and the use thereof CYTOVIA, INC. (US) 2009-03-17 US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US disclosed
US-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC. 2008-12-04 US disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 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 (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-20080300191-A1 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF ACE, ACE2, TMPRSS2 L3MBTL1 2287/4885RAB9A 2815/4885KMT2A 4306/4885

“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.