SCHEMBL13424940

SCHEMBL13424940

[C-]#[N+]c1ccc(C(=O)Nc2cc(C#N)cc(C(=O)Nc3c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc3C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
MLYCD O95822 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ESR1 P03372 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL3212633 0.90 MLYCD (0.49) BCHEMLYCDNR1H4MRGPRX4ESR1
SCHEMBL13424932 0.82 HDAC1 (0.36) NR1H4RXFP1MAPK14KDM4EHDAC8
SCHEMBL11987618 0.78 MRGPRX4 (0.36) BCHEMRGPRX4KDM4EMAPTSAE1
SCHEMBL3213743 0.77 ABCC9 (0.38) MRGPRX4
SCHEMBL3216351 0.74 MEN1 (0.43) MAPT
SCHEMBL1275272 0.73 MLYCD (0.45) MLYCDESR1RXFP1KDM4E
SCHEMBL13456091 0.73 RXFP1 (0.43) MLYCDNR1H4ESR1RXFP1MAPK14
SCHEMBL21620295 0.72 KCNJ11 (0.49) RXFP1KDM4EMAPTHDAC6
SCHEMBL13216365 0.72 LCK (0.38) MAPK14
SCHEMBL21652318 0.71 TRPV1 (0.54) NR1H4MAPTHDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 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-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 BCHE 287/4885MLYCD 3860/4885NR1H4 3173/4885

“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.