SCHEMBL958110

SCHEMBL958110

Nc1ncnc(N2CCN(C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.53
LMNA P02545 7/20 0.52
HTT P42858 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 2/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
HTR1A P08908 2/20 0.41
HTR2C P28335 1/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 2/20 0.41

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
SCHEMBL958111 1.00 RPS6KB1 (0.53) RPS6KB1LMNAHTTALDH1A1TSHR
SCHEMBL955635 0.83 LMNA (0.58) LMNAHTTALDH1A1TSHRMAPT
SCHEMBL955634 0.83 LMNA (0.58) LMNAHTTALDH1A1TSHRMAPT
SCHEMBL15347529 0.75 CTSK (0.67) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL15347528 0.75 CTSK (0.67) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL6947729 0.74 HTT (0.73) RPS6KB1LMNAHTTALDH1A1MAPT
SCHEMBL28765698 0.71 LMNA (0.52) LMNAHTTALDH1A1TSHRMAPT
SCHEMBL30831365 0.71 DRD2 (0.51) RPS6KB1LMNAHTTALDH1A1MAPT
SCHEMBL15347078 0.70 CYP1A2 (0.63) LMNAHTTALDH1A1KDM4EGAA
SCHEMBL15347075 0.70 CYP1A2 (0.63) LMNAHTTALDH1A1KDM4EGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103734137-A Piperazin derivatives and their use in controlling pests SYNGENTA PARTICIPATIONS AG 2014-04-23 CN claimed
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 US claimed
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 claimed
CN-1976586-A Piperazine derivatives and their use for controlling pests SYNGENTA PARTICIPATIONS AG (CH) 2007-06-06 CN claimed
EP-1755396-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS Syngeta Participations AG (CH) 2007-02-28 EP claimed
WO-2005115146-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-12-08 WO claimed

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 RPS6KB1 1807/4885LMNA 3167/4885HTT 3840/4885
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 RPS6KB1 1462/4885LMNA 3570/4885HTT 1333/4885

“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.