SCHEMBL17829477

SCHEMBL17829477

CCN(C(=O)c1ccncc1)c1cccc(C(=O)N(C(C)=O)c2c(Cl)cc(C(C)(F)C(F)(F)F)cc2Br)c1OC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
GPBAR1 Q8TDU6 7/20 0.33
GAA P10253 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
SLC2A1 P11166 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16150672 0.93 MLYCD (0.37) MLYCDGPBAR1GAAMCOLN3SLC2A1
SCHEMBL17829475 0.89 MLYCD (0.39) MLYCD
SCHEMBL17829478 0.84 MLYCD (0.37) MLYCDGPBAR1GAAMCOLN3
SCHEMBL16150584 0.82 MLYCD (0.40) MLYCDGAAMCOLN3
SCHEMBL16151164 0.77 MLYCD (0.38) MLYCDGPBAR1GAAMCOLN3MEN1
SCHEMBL29378569 0.77 MLYCD (0.38) MLYCDGPBAR1GAAMCOLN3MEN1
SCHEMBL16863607 0.76 MLYCD (0.37) MLYCDGPBAR1GAAMCOLN3MEN1
SCHEMBL16870299 0.75 MLYCD (0.36) MLYCDGPBAR1GAAMCOLN3
SCHEMBL17829476 0.73 MLYCD (0.40) MLYCDSLC2A1
SCHEMBL16150431 0.72 GPBAR1 (0.37) MLYCDGPBAR1

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-9598369-B2 Process for the preparation of amides from hindered anilines containing a perhaloalkyl group SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 US disclosed
US-20160168097-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 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-20160168097-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP ABHD5, FADS1, PFAS MLYCD 1591/4885GPBAR1 1810/4885GAA 2424/4885

“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.