SCHEMBL952405

SCHEMBL952405

CC(=O)Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
USP2 O75604 2/20 0.47
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ANXA2 P07355 2/20 0.44
S100A10 P60903 2/20 0.44
DHCR7 Q9UBM7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MCHR1 Q99705 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL952404 1.00 LMNA (0.47) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL951770 0.89 LMNA (0.48) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL951769 0.89 LMNA (0.48) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL952443 0.88 EBP (0.51) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL952446 0.88 EBP (0.51) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL952382 0.86 KMT2A (0.54) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL955890 0.85 MEN1 (0.52) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL955892 0.85 MEN1 (0.52) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL953950 0.84 EBP (0.45) LMNAUSP2EBPSIGMAR1MAPT
SCHEMBL953948 0.84 EBP (0.45) LMNAUSP2EBPSIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 US disclosed
US-7807679-B2 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2010-10-05 US disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 US 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-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS CHRM1, CHRM5, PRMT5 LMNA 3167/4885USP2 2865/4885EBP 3189/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 LMNA 3570/4885USP2 3945/4885EBP 1998/4885

“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.