SCHEMBL3326368

SCHEMBL3326368

N#Cc1cc(OCCOc2cc(F)ccc2Br)no1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.46
SCD5 Q86SK9 1/20 0.46
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 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
SCHEMBL3323838 0.96 SCD (0.50) SCDSCD5FFAR1FFAR4ALDH1A1
SCHEMBL3322147 0.76 SCD (0.36) SCDSCD5FFAR1FFAR4
SCHEMBL3094215 0.76 SCD (0.52) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3105760 0.74 SCD (0.50) SCDSCD5FFAR1FFAR4
SCHEMBL3110021 0.72 SCD (0.56) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3321685 0.72 SCD (0.51) SCDSCD5FFAR1FFAR4
SCHEMBL2810578 0.72 KDM4E (0.40) ALDH1A1NPC1RAB9A
SCHEMBL3231480 0.69 SCD (0.55) SCDSCD5FFAR1FFAR4
SCHEMBL10039708 0.68 FFAR1 (0.47) SCDSCD5FFAR1FFAR4NPC1
SCHEMBL31040072 0.68 FFAR1 (0.47) SCDSCD5FFAR1FFAR4NPC1

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 SCD 1/4885SCD5 2/4885FFAR1 240/4885

“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.