SCHEMBL3324048

SCHEMBL3324048

O=C(O)c1cnc(-c2nnc(OCCCOc3cc(F)ccc3Br)s2)nc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.57
SCD5 Q86SK9 2/20 0.48
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PKM P14618 1/20 0.36
XDH P47989 1/20 0.35

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
SCHEMBL3320356 0.90 SCD (0.51) SCDSCD5FFAR1FFAR4
SCHEMBL13332587 0.82 SCD (0.77) SCDSCD5FFAR1FFAR4
SCHEMBL3235762 0.80 SCD (0.55) SCDSCD5FFAR1FFAR4PKM
SCHEMBL13332578 0.79 SCD (0.73) SCDSCD5FFAR1FFAR4
SCHEMBL3323324 0.73 SCD (0.48) SCDSCD5FFAR1FFAR4
SCHEMBL13332423 0.73 SCD (1.00) SCDSCD5
SCHEMBL3609071 0.72 SCD (0.70) SCDSCD5
SCHEMBL3324414 0.70 SCD (0.61) SCDSCD5
SCHEMBL3235583 0.70 SCD (0.66) SCDSCD5FFAR1FFAR4
SCHEMBL31472051 0.70 FFAR4 (0.64) 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 4 patents. 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
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
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
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 WO 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.