SCHEMBL3166963

SCHEMBL3166963

O=[N+]([O-])c1ccccc1C=Nc1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ SAE1 Q9UBE0 1/20 0.59
▸ UBA2 Q9UBT2 1/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ MAPT P10636 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ PTBP1 P26599 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL30946928 0.88 CA12 (0.69) APAF1ATMSAE1UBA2CA12
SCHEMBL9333914 0.88 CA12 (0.69) APAF1ATMSAE1UBA2CA12
Nitric Acid SCHEMBL4371650 0.84 CA12 (0.73) APAF1ATMSAE1UBA2CA12
Nitric Acid SCHEMBL5580973 0.84 CA12 (0.73) APAF1ATMSAE1UBA2CA12
SCHEMBL3043845 0.83 ALDH1A1 (0.51) APAF1ATMSAE1UBA2CA12
SCHEMBL12416827 0.81 APAF1 (0.52) APAF1ATMSAE1UBA2CA12
SCHEMBL27930462 0.81 ALDH1A1 (0.66) APAF1ATMSAE1UBA2CA12
SCHEMBL21747488 0.81 MAPT (0.49) APAF1ATMSAE1UBA2MAPT
SCHEMBL21747489 0.81 MAPT (0.49) APAF1ATMSAE1UBA2MAPT
SCHEMBL10090684 0.80 ALDH1A1 (0.62) APAF1ATMSAE1UBA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104651476-B Novel nitroreductase substrates 生物梅里埃公司 2020-02-18 — — CN disclosed
EP-2479282-B1 Media including nitroreductase enzymatic substrates BIOMERIEUX SA (FR) 2018-03-28 — — EP disclosed
CN-104531832-B Novel nitroreductase enzymatic substrates 生物梅里埃公司 2017-10-27 — — CN disclosed
EP-2155893-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2016-10-19 — — EP disclosed
EP-2471944-B1 Novel peptidase substrates BIOMERIEUX SA (FR) 2016-09-14 — — EP disclosed
EP-2155892-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2015-03-18 — — EP disclosed
EP-2479282-A1 Media including nitroreductase enzymatic substrates bioMérieux (FR) 2012-07-25 — — EP disclosed
US-8216800-B2 Substrates for detecting peptidase activity and methods using the substrates BIOMERIEUX (FR) 2012-07-10 — — US disclosed
EP-2471944-A1 Novel peptidase substrates bioMérieux (FR) 2012-07-04 — — EP disclosed
US-8211662-B2 Nitroreductase enzymatic substrates BIOMERIEUX (FR) 2012-07-03 — — US disclosed
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-09-02 — — US disclosed
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-04-22 — — US disclosed
EP-2155892-A2 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX (FR) 2010-02-24 — — EP disclosed
EP-2155893-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-02-24 — — EP disclosed
WO-2008152305-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2008-12-18 — — WO disclosed
WO-2008152306-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2008-12-18 — — 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 (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-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES CBR1, CBR3, XDH APAF1 3880/4885ATM 4823/4885SAE1 829/4885
US-20100099128-A1 NOVEL PEPTIDASE SUBSTRATES XPNPEP1, DPEP1, DDAH1 APAF1 1053/4885ATM 4844/4885SAE1 249/4885

“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.

Send feedback