SCHEMBL13232181

SCHEMBL13232181

CC1(Cc2ccccc2)NC(=O)c2cc3c([N+](=O)[O-])ccc(F)c3n2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.34
HTT P42858 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GPR55 Q9Y2T6 2/20 0.34
CNR1 P21554 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HTR6 P50406 2/20 0.32
CFTR P13569 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 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
SCHEMBL13232197 0.82 LMNA (0.35) LMNAHTTNPSR1SMN1; SMN2GPR55
SCHEMBL3029212 0.72 HTT (0.32) LMNAHTTNPSR1SMN1; SMN2TDP1
SCHEMBL3029213 0.72 HTT (0.32) LMNAHTTNPSR1SMN1; SMN2TDP1
SCHEMBL3023619 0.70 HTT (0.34) LMNAHTTNPSR1SMN1; SMN2GPR55
SCHEMBL3023623 0.70 HTT (0.34) LMNAHTTNPSR1SMN1; SMN2GPR55
SCHEMBL3017250 0.67 XDH (0.46) LMNAHTTNPSR1SMN1; SMN2GPR55
SCHEMBL2166817 0.67 XDH (0.46) LMNAHTTNPSR1SMN1; SMN2GPR55
SCHEMBL3017249 0.67 XDH (0.46) LMNAHTTNPSR1SMN1; SMN2GPR55
SCHEMBL3031993 0.67 GFER (0.33) LMNAHTTNPSR1SMN1; SMN2TDP1
SCHEMBL3026110 0.65 HTT (0.34) LMNAHTTNPSR1SMN1; SMN2GPR55

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 LMNA 4628/4885HTT 2679/4885NPSR1 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.