SCHEMBL3323446

SCHEMBL3323446

NC(=O)c1cnc(OCCOc2cc(F)ccc2Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.43
SCD O00767 6/20 0.43
SCD5 Q86SK9 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PKM P14618 1/20 0.37
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
GRM2 Q14416 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL3323243 0.86 FFAR4 (0.40) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3094215 0.77 SCD (0.52) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3322147 0.75 SCD (0.36) SCDSCD5FFAR1FFAR4
SCHEMBL3110021 0.74 SCD (0.56) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3263788 0.73 SCD (0.66) SCDSCD5FFAR1FFAR4
SCHEMBL3100399 0.72 FFAR1 (0.48) SCDSCD5FFAR1FFAR4PKM
SCHEMBL30826969 0.72 SIRT6 (0.62) SIRT6
SCHEMBL19645365 0.71 SIRT6 (0.67) SIRT6
SCHEMBL3235762 0.71 SCD (0.55) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3320117 0.71 SCD (0.38) SCDSCD5FFAR1FFAR4PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 SIRT6 237/4885SCD 1/4885SCD5 2/4885

“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.