SCHEMBL17178358

SCHEMBL17178358

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
GPR6 P46095 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
MAPT P10636 3/20 0.33
HPGD P15428 1/20 0.33
MLYCD O95822 2/20 0.33
RAB9A P51151 2/20 0.33
PTPN1 P18031 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
CYP19A1 P11511 1/20 0.33
PLAU P00749 1/20 0.33
DHODH Q02127 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
SCHEMBL17178348 0.94 GPR6 (0.36) RXFP1GPR6SIRT2MAPTHPGD
SCHEMBL17178352 0.94 RXFP1 (0.35) RXFP1GPR6SIRT2MAPTHPGD
SCHEMBL17178350 0.90 MLYCD (0.43) RXFP1GPR6MAPTMLYCDRAB9A
SCHEMBL17178401 0.90 RXFP1 (0.38) RXFP1GPR6SIRT2MAPTHPGD
SCHEMBL1766956 0.89 RXFP1 (0.39) RXFP1SIRT2MAPTHPGDMLYCD
SCHEMBL14844306 0.87 GPBAR1 (0.40) RXFP1MAPTMLYCDALDH1A1SMN1; SMN2
SCHEMBL17178402 0.86 RXFP1 (0.35) RXFP1GPR6SIRT2MAPTMLYCD
SCHEMBL19513092 0.86 MLYCD (0.41) RXFP1GPR6MAPTMLYCDRAB9A
SCHEMBL20233493 0.86 MLYCD (0.41) RXFP1GPR6MAPTMLYCDRAB9A
SCHEMBL29379234 0.85 MLYCD (0.40) RXFP1GPR6MAPTMLYCDRAB9A

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 RXFP1 2936/4885GPR6 4321/4885SIRT2 261/4885
US-20170305839-A1 INSECTICIDAL COMPOUNDS ACHE, HDAC6, TUBA3C RXFP1 3170/4885GPR6 4317/4885SIRT2 276/4885

“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.