SCHEMBL17829476

SCHEMBL17829476

CCN(C(=O)c1ccc(C#N)cc1)c1cccc(C(=O)Nc2c(Cl)cc(C(C)(F)C(F)(F)F)cc2Br)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
RXFP1 Q9HBX9 1/20 0.34
GPR6 P46095 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL15671140 0.93 MLYCD (0.40) MLYCDRXFP1GPR6HDAC8ALDH1A1
SCHEMBL29379234 0.93 MLYCD (0.40) MLYCDRXFP1GPR6HDAC8ALDH1A1
SCHEMBL16863608 0.92 MLYCD (0.39) MLYCDRXFP1GPR6HDAC8ALDH1A1
SCHEMBL17829478 0.89 MLYCD (0.37) MLYCDRXFP1HDAC8ALDH1A1LMNA
SCHEMBL16870221 0.88 GPR6 (0.37) MLYCDGPR6ALDH1A1LMNASMN1; SMN2
SCHEMBL17178350 0.88 MLYCD (0.43) MLYCDRXFP1GPR6HDAC8ALDH1A1
SCHEMBL17178329 0.88 MLYCD (0.43) MLYCDRXFP1GPR6ALDH1A1LMNA
SCHEMBL19513092 0.85 MLYCD (0.41) MLYCDRXFP1GPR6HDAC8ALDH1A1
SCHEMBL17178360 0.85 MLYCD (0.41) MLYCDRXFP1GPR6ALDH1A1LMNA
SCHEMBL20233493 0.85 MLYCD (0.41) MLYCDRXFP1GPR6HDAC8ALDH1A1

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 1591/4885RXFP1 3588/4885GPR6 2083/4885

“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.