SCHEMBL2215912

SCHEMBL2215912

O=C(O)Cc1nn(-c2ccccc2Cl)c(O)c1C(=O)CCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
HSD11B1 P28845 1/20 0.39
AKR1B1 P15121 3/20 0.36
ADORA2A P29274 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34
HIF1A Q16665 1/20 0.34
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2215939 0.81 USP2 (0.46) PDE4BSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL1459190 0.76 PDE4B (0.43) PDE4BHSD11B1SMN1; SMN2FABP3FABP4
SCHEMBL2355743 0.72 USP2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
SCHEMBL2845966 0.69 SLC16A3 (0.42) PDE4BHSD11B1AKR1B1FABP3FABP4
SCHEMBL11763324 0.68 BCHE (0.43) AKR1B1ADORA2ASMN1; SMN2FABP3FABP4
SCHEMBL27877336 0.66 P2RX7 (0.58) PDE4BNPC1RAB9A
SCHEMBL11250252 0.64 CNR1 (0.51) AKR1B1CNR1
SCHEMBL2260280 0.63 TRPV1 (0.49)
SCHEMBL28342171 0.62 NPC1 (0.43) HSD11B1AKR1B1SMN1; SMN2FABP3FABP4
SCHEMBL12431212 0.62 FEN1 (0.59) AKR1B1ALDH1A1TRPA1MAPK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483271-B1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-08-16 EP disclosed
US-9394306-B2 Pyrazoline dione derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-07-19 US disclosed
EP-2674160-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-10-28 EP disclosed
US-9012449-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-21 US disclosed
EP-2674160-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2013-12-18 EP disclosed
EP-2349261-B1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-08-14 EP disclosed
US-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-06-06 US disclosed
US-8455485-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
EP-2483271-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-08-08 EP disclosed
US-20120172352-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2012-07-05 US disclosed
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
WO-2010035219-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 WO disclosed
EP-2165707-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYO TEX SA (CH) 2010-03-24 EP 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 (3 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-20120172352-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB PDE4B 282/4885HSD11B1 343/4885AKR1B1 210/4885
US-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB PDE4B 370/4885HSD11B1 518/4885AKR1B1 215/4885
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB PDE4B 370/4885HSD11B1 518/4885AKR1B1 215/4885

“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.