SCHEMBL13232197

SCHEMBL13232197

CN1C(=O)c2cc3c([N+](=O)[O-])ccc(F)c3n2C(=O)C1(C)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
GPR55 Q9Y2T6 2/20 0.35
CNR1 P21554 1/20 0.35
HTR6 P50406 1/20 0.33
ALDH3A1 P30838 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
CFTR P13569 1/20 0.33
ALDH1A1 P00352 7/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 3/20 0.32
MITF O75030 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL13262626 0.82 ITGB2 (0.32) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL13232181 0.82 LMNA (0.34) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL3029588 0.73 XDH (0.34) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL3029589 0.73 XDH (0.34) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL13232185 0.71 ELANE (0.38) LMNASMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL3017310 0.69 XDH (0.37) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL3017313 0.69 XDH (0.37) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL13232203 0.68 PKM (0.36) ALDH1A1
SCHEMBL3031270 0.68 MMP2 (0.33) LMNASMN1; SMN2NPSR1HTTGPR55
SCHEMBL13232198 0.67 ATM (0.41) HTTCNR1ALDH1A1MEN1KMT2A

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-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 LMNA 4628/4885SMN1; SMN2 3592/4885NPSR1 70/4885

“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.