SCHEMBL3323324

SCHEMBL3323324

N#Cc1nnc(OCCCOc2cc(F)ccc2Br)s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.48
SCD5 Q86SK9 1/20 0.41
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL3322958 0.85 SCD (0.37) SCD
SCHEMBL3235762 0.78 SCD (0.55) SCDSCD5FFAR1FFAR4
SCHEMBL3324048 0.73 SCD (0.57) SCDSCD5FFAR1FFAR4
SCHEMBL3320356 0.72 SCD (0.51) SCDSCD5FFAR1FFAR4
SCHEMBL3323838 0.71 SCD (0.50) SCDSCD5FFAR1FFAR4NPC1
SCHEMBL3111588 0.69 FFAR1 (0.46) SCDSCD5FFAR1FFAR4NPC1
SCHEMBL13332587 0.69 SCD (0.77) SCDSCD5FFAR1FFAR4
SCHEMBL3323016 0.68 SCD (0.43) SCDSCD5FFAR1FFAR4
SCHEMBL3095403 0.68 FFAR1 (0.48) SCDSCD5FFAR1FFAR4NPC1
SCHEMBL3099784 0.68 FFAR1 (0.44) 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.