SCHEMBL952179

SCHEMBL952179

Cc1nn(C)c(N2CCN(C/C=C/c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DHCR7 Q9UBM7 1/20 0.40
LMNA P02545 7/20 0.39
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL952180 1.00 EBP (0.42) EBPSIGMAR1DHCR7LMNAALDH1A1
SCHEMBL956481 0.82 EBP (0.46) EBPSIGMAR1DHCR7LMNAALDH1A1
SCHEMBL956482 0.82 EBP (0.46) EBPSIGMAR1DHCR7LMNAALDH1A1
SCHEMBL954082 0.72 EBP (0.42) EBPSIGMAR1DHCR7LMNAALDH1A1
SCHEMBL954084 0.72 EBP (0.42) EBPSIGMAR1DHCR7LMNAALDH1A1
SCHEMBL23536271 0.72 RPS6KB1 (0.45) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL29932053 0.72 RPS6KB1 (0.45) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL2056222 0.70 SIGMAR1 (0.56) EBPSIGMAR1DHCR7LMNAALDH1A1
SCHEMBL952457 0.69 LMNA (0.48) EBPSIGMAR1LMNAALDH1A1MAPT
SCHEMBL952455 0.69 LMNA (0.48) EBPSIGMAR1LMNAALDH1A1MAPT

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 7 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
EP-1755396-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS Syngeta Participations AG (CH) 2007-02-28 EP disclosed
WO-2005115146-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-12-08 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 (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 EBP 3189/4885SIGMAR1 160/4885DHCR7 3916/4885
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 EBP 1998/4885SIGMAR1 259/4885DHCR7 4348/4885

“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.