SCHEMBL953564

SCHEMBL953564

O=C(Nc1cc(Cl)cnc1N1CCN(CC=Cc2ccc(C(F)(F)F)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SRPK1 Q96SB4 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDR P35968 1/20 0.38
SRPK2 P78362 1/20 0.38
SRPK3 Q9UPE1 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL953562 1.00 CXCR3 (0.42) CXCR3MEN1KMT2ASRPK1SMN1; SMN2
SCHEMBL955311 0.92 SMN1; SMN2 (0.42) CXCR3SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL955312 0.92 SMN1; SMN2 (0.42) CXCR3SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL954022 0.90 GPR6 (0.44) CXCR3KMT2A
SCHEMBL954024 0.90 GPR6 (0.44) CXCR3KMT2A
SCHEMBL953308 0.88 ABL1 (0.43) MEN1KMT2ASRPK1SMN1; SMN2KDR
SCHEMBL953309 0.88 ABL1 (0.43) MEN1KMT2ASRPK1SMN1; SMN2KDR
SCHEMBL953013 0.86 SRPK1 (0.44) MEN1KMT2ASRPK1KDRSRPK2
SCHEMBL953012 0.86 SRPK1 (0.44) MEN1KMT2ASRPK1KDRSRPK2
SCHEMBL956952 0.85 SRPK1 (0.49) SRPK1KDRSRPK2SRPK3

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 CXCR3 3853/4885MEN1 3554/4885KMT2A 1508/4885
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 CXCR3 3203/4885MEN1 4330/4885KMT2A 842/4885

“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.