SCHEMBL953845

SCHEMBL953845

O=C(Nc1ccc(Cl)cc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.48
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GAA P10253 1/20 0.44
DHCR7 Q9UBM7 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.41
ABL1 P00519 1/20 0.41
TSHR P16473 1/20 0.41
RIN1 Q13671 1/20 0.41
F10 P00742 5/20 0.41
KLKB1 P03952 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL953844 1.00 ALDH1A1 (0.54) ALDH1A1POLBNPSR1SMN1; SMN2KDM4E
SCHEMBL952446 0.91 EBP (0.51) ALDH1A1POLBNPSR1SMN1; SMN2KDM4E
SCHEMBL952443 0.91 EBP (0.51) ALDH1A1POLBNPSR1SMN1; SMN2KDM4E
SCHEMBL953950 0.88 EBP (0.45) ALDH1A1POLBNPSR1SMN1; SMN2KDM4E
SCHEMBL953948 0.88 EBP (0.45) ALDH1A1POLBNPSR1SMN1; SMN2KDM4E
SCHEMBL951728 0.87 EBP (0.43) ALDH1A1POLBNPSR1SMN1; SMN2EBP
SCHEMBL951730 0.87 EBP (0.43) ALDH1A1POLBNPSR1SMN1; SMN2EBP
SCHEMBL952589 0.86 DRD2 (0.48) ALDH1A1NPSR1EBPSIGMAR1DHCR7
SCHEMBL952590 0.86 DRD2 (0.48) ALDH1A1NPSR1EBPSIGMAR1DHCR7
SCHEMBL955890 0.86 MEN1 (0.52) ALDH1A1POLBNPSR1KDM4EEBP

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 ALDH1A1 352/4885POLB 3844/4885NPSR1 116/4885
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 ALDH1A1 290/4885POLB 3633/4885NPSR1 479/4885

“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.