SCHEMBL957517

SCHEMBL957517

O=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 3/20 0.42
TRPV1 Q8NER1 2/20 0.41
XPO1 O14980 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM1 P11229 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL957516 1.00 KMT2A (0.43) KMT2AEBPSIGMAR1RXFP1DRD2
SCHEMBL952446 0.90 EBP (0.51) KMT2AEBPSIGMAR1DRD2DRD3
SCHEMBL952443 0.90 EBP (0.51) KMT2AEBPSIGMAR1DRD2DRD3
SCHEMBL952076 0.90 KDM4E (0.43) KMT2ADRD2DRD3LMNAMEN1
SCHEMBL952075 0.90 KDM4E (0.43) KMT2ADRD2DRD3LMNAMEN1
SCHEMBL955892 0.85 MEN1 (0.52) KMT2AEBPSIGMAR1DRD2DRD3
SCHEMBL955890 0.85 MEN1 (0.52) KMT2AEBPSIGMAR1DRD2DRD3
SCHEMBL952590 0.84 DRD2 (0.48) KMT2AEBPSIGMAR1DRD2DRD3
SCHEMBL952589 0.84 DRD2 (0.48) KMT2AEBPSIGMAR1DRD2DRD3
SCHEMBL953632 0.82 KMT2A (0.39) KMT2ARXFP1DRD2DRD3LMNA

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 KMT2A 1508/4885EBP 3189/4885SIGMAR1 160/4885
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 KMT2A 842/4885EBP 1998/4885SIGMAR1 259/4885

“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.