SCHEMBL13232179

SCHEMBL13232179

O=C1NC(Cc2ccccc2)C(=O)n2c1cc1c([N+](=O)[O-])cccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCL2 P10415 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.36
CCR2 P41597 1/20 0.36
NR0B1 P51843 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL13232183 0.78 GAA (0.44) PLA2G10PLA2G5GAAPOLBCYP1A2
SCHEMBL15712275 0.62 LMNA (0.46) GAAKMT2AALDH1A1
SCHEMBL9453746 0.61 HDAC1 (0.60) GAAPOLBKMT2AMMP2
SCHEMBL2156932 0.61 CCR2 (0.53) KMT2ACCR2ALDH1A1
SCHEMBL20499420 0.60 MEN1 (0.55) GAAKMT2AMMP2ALDH1A1
SCHEMBL9453685 0.60 KMT2A (0.56) PLA2G10PLA2G5GAAPOLBKMT2A
SCHEMBL25290375 0.60 RECQL (0.53) KMT2ACCR2ALDH1A1
SCHEMBL2049090 0.60 RECQL (0.53) KMT2ACCR2ALDH1A1
SCHEMBL30491733 0.60 RECQL (0.53) KMT2ACCR2ALDH1A1
SCHEMBL18109234 0.60 TDP1 (0.55) GAAPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
WO-2009000757-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2008-12-31 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-20100167933-A1 Piperazine Compounds With Herbicidal Action PRXL2A, CBR1, CBR3 PLA2G10 3153/4885PLA2G5 1278/4885GAA 2706/4885

“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.