SCHEMBL953301

SCHEMBL953301

O=C(Nc1c(F)cc(F)c(F)c1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHCR7 Q9UBM7 1/20 0.38
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.36
CCR3 P51677 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL953299 1.00 EBP (0.40) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953019 0.88 EBP (0.40) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953021 0.88 EBP (0.40) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL955063 0.83 CHRM1 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL955064 0.83 CHRM1 (0.42) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953879 0.82 EBP (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953880 0.82 EBP (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL957522 0.82 CHRM1 (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL957519 0.82 CHRM1 (0.41) EBPSIGMAR1LMNASMN1; SMN2DHCR7
SCHEMBL953898 0.81 SMN1; SMN2 (0.46) EBPSIGMAR1LMNASMN1; SMN2ALDH1A1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.