SCHEMBL3262647

SCHEMBL3262647

CCOC(=O)c1nnn(CCCCOc2cc(F)ccc2Br)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.48
SCD5 Q86SK9 1/20 0.46
CSNK1D P48730 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
LMNA P02545 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
SCHEMBL3102808 0.85 SCD (0.48) SCDSCD5SMN1; SMN2FFAR1FFAR4
SCHEMBL3324510 0.80 SCD (0.42) SCDSCD5FFAR1FFAR4MAPT
SCHEMBL3102844 0.78 SCD (0.69) SCDSCD5FFAR1FFAR4LMNA
SCHEMBL3323942 0.77 SCD (0.54) SCDSCD5SMN1; SMN2FFAR1FFAR4
SCHEMBL3325378 0.76 SCD (0.51) SCDSCD5SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3323016 0.75 SCD (0.43) SCDSCD5SMN1; SMN2FFAR1FFAR4
SCHEMBL15020191 0.74 ALDH1A1 (0.44) MAPTNPSR1L3MBTL1ALDH1A1ATM
SCHEMBL15931725 0.72 ALDH1A1 (0.46) SMN1; SMN2MAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL31472140 0.72 FFAR1 (0.48) SCDSCD5SMN1; SMN2FFAR1FFAR4
SCHEMBL17321297 0.72 TSHR (0.43) SMN1; SMN2CA1CA2CA4CA9

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 3 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
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

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 2/4885CSNK1D 1033/4885

“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.