Sugi Predict

Sugi Predict / Compounds / SCHEMBL951727

SCHEMBL951727

SCHEMBL951727

O=C(Nc1c(Cl)ncnc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DHCR7 Q9UBM7 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL951726 1.00 EBP (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953670 0.83 CXCR3 (0.46) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL954432 0.83 SMN1; SMN2 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL955311 0.83 SMN1; SMN2 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL955312 0.83 SMN1; SMN2 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953672 0.83 CXCR3 (0.46) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL954431 0.83 SMN1; SMN2 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953879 0.83 EBP (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953880 0.83 EBP (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL954082 0.82 EBP (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7

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