Sugi Predict

Sugi Predict / Compounds / SCHEMBL951728

SCHEMBL951728

SCHEMBL951728

O=C(Nc1ccc(Cl)cc1N1CCN(C/C=C/c2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR6 P46095 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ DHCR7 Q9UBM7 1/20 0.40
▸ SRPK1 Q96SB4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RIN1 Q13671 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
SCHEMBL951730 1.00 EBP (0.43) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL952867 0.93 DRD2 (0.41) EBPSIGMAR1LMNASMN1; SMN2DRD2
SCHEMBL952869 0.93 DRD2 (0.41) EBPSIGMAR1LMNASMN1; SMN2DRD2
SCHEMBL953013 0.93 SRPK1 (0.44) DRD2DRD3SRPK1ALDH1A1NPSR1
SCHEMBL953012 0.93 SRPK1 (0.44) DRD2DRD3SRPK1ALDH1A1NPSR1
SCHEMBL954119 0.92 EBP (0.42) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL951966 0.92 GPR6 (0.51) LMNASMN1; SMN2GPR6USP2DRD2
SCHEMBL954120 0.92 EBP (0.42) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL951968 0.92 GPR6 (0.51) LMNASMN1; SMN2GPR6USP2DRD2
SCHEMBL953952 0.91 EBP (0.41) EBPSIGMAR1MCHR1LMNASMN1; SMN2

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 16 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
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 — — US disclosed
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
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-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 — — US 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-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-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
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
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 160/4885MCHR1 408/4885
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 259/4885MCHR1 457/4885

“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.