SCHEMBL17829475

SCHEMBL17829475

CCN(C(=O)c1ccc(C#N)cc1)c1cccc(C(=O)N(C(C)=O)c2c(Cl)cc(C(C)(F)C(F)(F)F)cc2Br)c1OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
PDK2 Q15119 1/20 0.34
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD11B1 P28845 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL16150584 0.93 MLYCD (0.40) MLYCDPDK2ADORA2AADORA2BADORA1
SCHEMBL17829477 0.89 MLYCD (0.37) MLYCD
SCHEMBL17829476 0.85 MLYCD (0.40) MLYCDPDK2ADORA2AADORA2BADORA1
SCHEMBL16150672 0.82 MLYCD (0.37) MLYCD
SCHEMBL17178349 0.79 MLYCD (0.41) MLYCDPDK2HSD11B1
SCHEMBL29379234 0.78 MLYCD (0.40) MLYCDADORA2AADORA2BADORA1
SCHEMBL15671140 0.78 MLYCD (0.40) MLYCDADORA2AADORA2BADORA1
SCHEMBL16863608 0.77 MLYCD (0.39) MLYCDADORA2AADORA2BADORA1
SCHEMBL17178329 0.75 MLYCD (0.43) MLYCDADORA2AADORA2BADORA1HSD11B1
SCHEMBL17178350 0.75 MLYCD (0.43) MLYCDPDK2ADORA2AADORA2BADORA1

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 1591/4885PDK2 587/4885ADORA2A 1613/4885

“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.