SCHEMBL3322147

SCHEMBL3322147

N#Cc1cnc(OCCOc2cc(F)ccc2Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
SCD5 Q86SK9 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CHEK1 O14757 11/20 0.35
TRPC3 Q13507 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
ELOVL1 Q9BW60 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
SCHEMBL3326368 0.76 SCD (0.46) SCDSCD5FFAR1FFAR4
SCHEMBL3323446 0.75 SIRT6 (0.43) SCDSCD5FFAR1FFAR4
SCHEMBL3323243 0.73 FFAR4 (0.40) SCDSCD5FFAR1FFAR4
SCHEMBL3323838 0.72 SCD (0.50) SCDSCD5FFAR1FFAR4
SCHEMBL3320117 0.72 SCD (0.38) SCDSCD5FFAR1FFAR4
SCHEMBL22138881 0.70 KDM4E (0.36) CHEK1
SCHEMBL8297680 0.70 CYP1A2 (0.44) SCDSCD5FFAR1FFAR4
SCHEMBL3862181 0.69 SCD (0.46) SCDSCD5
SCHEMBL10039708 0.69 FFAR1 (0.47) SCDSCD5FFAR1FFAR4
SCHEMBL31040072 0.69 FFAR1 (0.47) SCDSCD5FFAR1FFAR4

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.