SCHEMBL952457

SCHEMBL952457

O=[N+]([O-])c1ccc(F)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
KMT2A Q03164 1/20 0.47
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL952455 1.00 LMNA (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL954198 0.85 LMNA (0.37) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL954200 0.85 LMNA (0.37) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL951476 0.81 SIGMAR1 (0.42) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL951475 0.81 SIGMAR1 (0.42) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL953297 0.77 SIGMAR1 (0.40) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL953298 0.77 SIGMAR1 (0.40) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL29847914 0.73 ALDH1A1 (0.52) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL16514297 0.73 ALDH1A1 (0.52) LMNAPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL951720 0.73 SMN1; SMN2 (0.44) LMNAPOLBALDH1A1MAPTSMN1; SMN2

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 3167/4885POLB 3844/4885ALDH1A1 352/4885
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 3570/4885POLB 3633/4885ALDH1A1 290/4885

“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.