SCHEMBL953013

SCHEMBL953013

O=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(C(F)(F)F)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 10/20 0.44
KDR P35968 1/20 0.42
SRPK2 P78362 1/20 0.42
SRPK3 Q9UPE1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
XPO1 O14980 1/20 0.41
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL953012 1.00 SRPK1 (0.44) SRPK1KDRSRPK2SRPK3KDM4E
SCHEMBL953852 0.93 SRPK1 (0.44) SRPK1KDRSRPK2SRPK3CHRM4
SCHEMBL953853 0.93 SRPK1 (0.44) SRPK1KDRSRPK2SRPK3CHRM4
SCHEMBL951728 0.93 EBP (0.43) SRPK1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL951730 0.93 EBP (0.43) SRPK1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL956950 0.91 SRPK1 (0.49) SRPK1KDRSRPK2SRPK3DRD2
SCHEMBL956952 0.91 SRPK1 (0.49) SRPK1KDRSRPK2SRPK3DRD2
SCHEMBL952075 0.90 KDM4E (0.43) KDM4EMAPTMEN1KMT2ADRD2
SCHEMBL952076 0.90 KDM4E (0.43) KDM4EMAPTMEN1KMT2ADRD2
SCHEMBL953818 0.89 SRPK1 (0.50) SRPK1KDRSRPK2SRPK3ALDH1A1

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 SRPK1 2663/4885KDR 3635/4885SRPK2 2632/4885
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 SRPK1 3699/4885KDR 3478/4885SRPK2 3377/4885

“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.