SCHEMBL17829478

SCHEMBL17829478

CCN(C(=O)c1ccncc1)c1cccc(C(=O)Nc2c(Cl)cc(C(C)(F)C(F)(F)F)cc2Br)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
GPBAR1 Q8TDU6 3/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYK2 P29597 4/20 0.33
JAK2 O60674 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
ICOSLG O75144 1/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL29378569 0.93 MLYCD (0.38) MLYCDGPBAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16151164 0.93 MLYCD (0.38) MLYCDGPBAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16863607 0.92 MLYCD (0.37) MLYCDGPBAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16870299 0.90 MLYCD (0.36) MLYCDGPBAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17829476 0.89 MLYCD (0.40) MLYCDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL17829477 0.84 MLYCD (0.37) MLYCDGPBAR1GAAMCOLN3
SCHEMBL16156489 0.83 MLYCD (0.39) MLYCDGPBAR1ALDH1A1TYK2JAK2
SCHEMBL18356120 0.83 MLYCD (0.36) MLYCDGPBAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17484742 0.82 MLYCD (0.38) MLYCDGPBAR1ALDH1A1TYK2JAK2
SCHEMBL15671140 0.82 MLYCD (0.40) MLYCDALDH1A1SMN1; SMN2MAPTNPC1

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 1810/4885ALDH1A1 969/4885

“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.