SCHEMBL17178348

SCHEMBL17178348

COc1c(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)cccc1N(C)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.36
RXFP1 Q9HBX9 2/20 0.35
DHODH Q02127 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP11B1 P15538 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL17178358 0.94 RXFP1 (0.38) GPR6RXFP1DHODHSIRT2SMN1; SMN2
SCHEMBL17178401 0.94 RXFP1 (0.38) GPR6RXFP1TAS1R3TAS1R1TAS1R2
SCHEMBL29379234 0.91 MLYCD (0.40) GPR6RXFP1DHODHTAS1R3TAS1R1
SCHEMBL15671140 0.91 MLYCD (0.40) GPR6RXFP1DHODHTAS1R3TAS1R1
SCHEMBL17178402 0.90 RXFP1 (0.35) GPR6RXFP1DHODHTAS1R3TAS1R1
SCHEMBL17178352 0.90 RXFP1 (0.35) GPR6RXFP1SLC2A1SLC2A3SIRT2
SCHEMBL16863608 0.88 MLYCD (0.39) GPR6RXFP1DHODHTAS1R3TAS1R1
SCHEMBL20187700 0.85 NPC1 (0.37) GPR6RXFP1DHODHTAS1R3TAS1R1
SCHEMBL17178350 0.85 MLYCD (0.43) GPR6RXFP1SMN1; SMN2NPC1ALDH1A1
SCHEMBL17178329 0.85 MLYCD (0.43) GPR6RXFP1DHODHTAS1R3TAS1R1

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-20170305839-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-10-26 US disclosed
US-9718762-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-08-01 US disclosed
US-20150291510-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-15 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-20150291510-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C GPR6 4321/4885RXFP1 2936/4885DHODH 2171/4885
US-20170305839-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C GPR6 4317/4885RXFP1 3170/4885DHODH 2125/4885

“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.