SCHEMBL3225263

SCHEMBL3225263

O=C(O)Cn1nnnc1-c1cc(OCCOc2cc(F)ccc2Br)no1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.65
SCD5 Q86SK9 1/20 0.65
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
STAT5B P51692 1/20 0.32
AKR1B10 O60218 1/20 0.31

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
SCHEMBL3267077 0.97 SCD (0.69) SCDSCD5ALDH1A1HPGDFFAR1
SCHEMBL3327447 0.83 SCD (0.56) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3111745 0.81 SCD (0.95) SCDSCD5FFAR1FFAR4
SCHEMBL3324745 0.80 SCD (0.59) SCDSCD5FFAR1FFAR4PTGDR2
SCHEMBL3099879 0.79 SCD (1.00) SCDSCD5FFAR1FFAR4
SCHEMBL3329193 0.79 SCD (0.96) SCDSCD5FFAR1FFAR4
SCHEMBL3221224 0.75 SCD (0.47) SCDSCD5ALDH1A1HPGDFFAR1
SCHEMBL3324160 0.74 SCD (0.67) SCDSCD5ALDH1A1HPGDFFAR1
SCHEMBL13332548 0.73 SCD (0.82) SCDSCD5
SCHEMBL13332564 0.73 SCD (0.77) SCDSCD5

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 6 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
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP 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
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 2/4885ALDH1A1 2012/4885

“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.