SCHEMBL951683

SCHEMBL951683

O=C(Nc1ccc(Cl)c(Cl)c1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.42
MAPK8 P45983 1/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHCR7 Q9UBM7 1/20 0.39
MCHR1 Q99705 1/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL951682 1.00 MAPK10 (0.42) MAPK10MAPK8EBPSIGMAR1DRD2
SCHEMBL954976 0.90 EBP (0.43) MAPK10MAPK8EBPSIGMAR1DRD2
SCHEMBL954978 0.90 EBP (0.43) MAPK10MAPK8EBPSIGMAR1DRD2
SCHEMBL951728 0.87 EBP (0.43) EBPSIGMAR1DRD2DRD3LMNA
SCHEMBL951730 0.87 EBP (0.43) EBPSIGMAR1DRD2DRD3LMNA
SCHEMBL954119 0.86 EBP (0.42) EBPSIGMAR1DRD2DRD3LMNA
SCHEMBL954120 0.86 EBP (0.42) EBPSIGMAR1DRD2DRD3LMNA
SCHEMBL954432 0.85 SMN1; SMN2 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL954431 0.85 SMN1; SMN2 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL951966 0.84 GPR6 (0.51) DRD2DRD3LMNASMN1; SMN2ALDH1A1

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 MAPK10 3821/4885MAPK8 4424/4885EBP 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 MAPK10 3499/4885MAPK8 4177/4885EBP 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.