SCHEMBL953552

SCHEMBL953552

Nc1ccc(F)cc1N1CCN(C/C=C/c2ccc(Cl)cc2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.38
P2RX7 Q99572 5/20 0.37
DRD2 P14416 2/20 0.37
DHCR7 Q9UBM7 1/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 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
SCHEMBL953554 1.00 EBP (0.39) EBPSIGMAR1LMNAP2RX7DRD2
SCHEMBL954200 0.85 LMNA (0.37) EBPSIGMAR1LMNAP2RX7NPC1
SCHEMBL954198 0.85 LMNA (0.37) EBPSIGMAR1LMNAP2RX7NPC1
SCHEMBL951475 0.83 SIGMAR1 (0.42) EBPSIGMAR1LMNADRD2DHCR7
SCHEMBL951476 0.83 SIGMAR1 (0.42) EBPSIGMAR1LMNADRD2DHCR7
SCHEMBL953555 0.77 HDAC1 (0.40) EBPSIGMAR1LMNANPC1MAPK1
SCHEMBL953556 0.77 HDAC1 (0.40) EBPSIGMAR1LMNANPC1MAPK1
SCHEMBL3437066 0.73 EBP (0.46) EBPSIGMAR1LMNADHCR7MEN1
SCHEMBL953297 0.73 SIGMAR1 (0.40) EBPSIGMAR1LMNADRD2DHCR7
SCHEMBL953298 0.73 SIGMAR1 (0.40) EBPSIGMAR1LMNADRD2DHCR7

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 160/4885LMNA 3167/4885
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 259/4885LMNA 3570/4885

“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.