SCHEMBL953898

SCHEMBL953898

O=C(Nc1cc(F)ccc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SRPK1 Q96SB4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
WDR5 P61964 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 2/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL953897 1.00 SMN1; SMN2 (0.46) SMN1; SMN2SRPK1RXFP1NPC1RAB9A
SCHEMBL952867 0.94 DRD2 (0.41) SMN1; SMN2RXFP1NPC1RAB9ADRD2
SCHEMBL952869 0.94 DRD2 (0.41) SMN1; SMN2RXFP1NPC1RAB9ADRD2
SCHEMBL953820 0.92 SRPK1 (0.50) SRPK1ALDH1A1
SCHEMBL953818 0.92 SRPK1 (0.50) SRPK1ALDH1A1
SCHEMBL955064 0.91 CHRM1 (0.42) SMN1; SMN2SRPK1DRD2DRD3NPSR1
SCHEMBL955063 0.91 CHRM1 (0.42) SMN1; SMN2SRPK1DRD2DRD3NPSR1
SCHEMBL957519 0.90 CHRM1 (0.41) SMN1; SMN2SRPK1DRD2DRD3WDR5
SCHEMBL957522 0.90 CHRM1 (0.41) SMN1; SMN2SRPK1DRD2DRD3WDR5
SCHEMBL955582 0.90 SRPK1 (0.40) SMN1; SMN2SRPK1RXFP1NPC1RAB9A

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 SMN1; SMN2 1131/4885SRPK1 2663/4885RXFP1 291/4885
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 SMN1; SMN2 2141/4885SRPK1 3699/4885RXFP1 1194/4885

“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.