SCHEMBL2220376

SCHEMBL2220376

[CH]1C[N+](Cc2ccccc2)CCO1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
CHKA P35790 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 2/20 0.30
CALM1 P0DP23 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6549159 0.73 TP53 (0.46) ALDH1A1TP53TRPA1TSHRCHKA
SCHEMBL9318596 0.69 TP53 (0.42) ALDH1A1TP53TRPA1TSHRCHKA
SCHEMBL691875 0.67 CHKA (0.40) ALDH1A1TP53TRPA1TSHRCHKA
SCHEMBL368538 0.67 CHKA (0.40) ALDH1A1TP53TRPA1TSHRCHKA
SCHEMBL5100518 0.66 TP53 (0.39) ALDH1A1TP53TRPA1TSHRCHKA
SCHEMBL11155177 0.64 SIGMAR1 (0.44) ALDH1A1TP53TSHRSLC6A2SLC6A4
SCHEMBL3058614 0.63 POLB (0.37) ALDH1A1TP53CHKALMNACALM1
SCHEMBL348590 0.62 ALDH1A1 (0.39) ALDH1A1TP53TSHR
SCHEMBL27609076 0.62 ACHE (0.47) ALDH1A1TP53HTT
SCHEMBL13283227 0.61 CHKA (0.61) ALDH1A1TP53CHKALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137668-B Pyrazolopyridine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX S.A. (CH) 2016-05-18 CN 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-2349261-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-08-03 EP 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

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-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB ALDH1A1 230/4885TP53 3297/4885TRPA1 3638/4885
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB ALDH1A1 230/4885TP53 3297/4885TRPA1 3638/4885

“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.