SCHEMBL6910461

SCHEMBL6910461

Nc1cccc(-n2[nH]c3c(c2=O)CCN(Cc2ccc(Cl)nc2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ATM Q13315 3/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
GAA P10253 1/20 0.35
RCE1 Q9Y256 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CLPP Q16740 1/20 0.34

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
SCHEMBL6908946 0.93 CLPP (0.37) MEN1KMT2AATMPRMT5WDR77
SCHEMBL2346966 0.86 CLPP (0.47) CLPP
SCHEMBL6911739 0.85 SLC6A5 (0.42) MEN1KMT2AATMSLC6A5GAA
SCHEMBL6910467 0.85 COMT (0.42) CHRNB2CHRNA4CLPP
SCHEMBL6911686 0.85 MEN1 (0.51) MEN1KMT2AATMSLC6A5GAA
SCHEMBL2345765 0.84 GABRA1 (0.43) MEN1KMT2AATMPRMT5WDR77
SCHEMBL6909746 0.84 MEN1 (0.41) MEN1KMT2AATMGAA
SCHEMBL6912210 0.82 CCR2 (0.41) MEN1KMT2AATMPRMT5WDR77
SCHEMBL2348266 0.82 ALDH1A1 (0.45) MEN1KMT2AATMCLPP
SCHEMBL6907625 0.81 CLPP (0.42) MEN1KMT2ACLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 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-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 MEN1 4805/4885KMT2A 3349/4885ATM 3213/4885

“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.