Sugi Predict

Sugi Predict / Compounds / SCHEMBL953298

SCHEMBL953298

SCHEMBL953298

O=C1NCCN1c1ccc(F)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.40
▸ EBP Q15125 1/20 0.40
▸ LMNA P02545 5/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ DHCR7 Q9UBM7 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BCL2A1 Q16548 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36

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
SCHEMBL953297 1.00 SIGMAR1 (0.40) SIGMAR1EBPLMNAMAPK1DHCR7
SCHEMBL951475 0.82 SIGMAR1 (0.42) SIGMAR1EBPLMNAMAPK1DHCR7
SCHEMBL951476 0.82 SIGMAR1 (0.42) SIGMAR1EBPLMNAMAPK1DHCR7
SCHEMBL952632 0.78 LMNA (0.42) SIGMAR1EBPLMNAUSP2ALDH1A1
SCHEMBL952634 0.78 LMNA (0.42) SIGMAR1EBPLMNAUSP2ALDH1A1
SCHEMBL952455 0.77 LMNA (0.48) SIGMAR1EBPLMNAMAPK1HTT
SCHEMBL952457 0.77 LMNA (0.48) SIGMAR1EBPLMNAMAPK1HTT
SCHEMBL951720 0.73 SMN1; SMN2 (0.44) SIGMAR1EBPLMNAMAPK1HTT
SCHEMBL951719 0.73 SMN1; SMN2 (0.44) SIGMAR1EBPLMNAMAPK1HTT
SCHEMBL953554 0.73 EBP (0.39) SIGMAR1EBPLMNAMAPK1DHCR7

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 SIGMAR1 160/4885EBP 3189/4885LMNA 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 SIGMAR1 259/4885EBP 1998/4885LMNA 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.