SCHEMBL3102808

SCHEMBL3102808

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.48
SCD5 Q86SK9 1/20 0.48
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GRM2 Q14416 2/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIN1 Q13526 1/20 0.34

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
SCHEMBL3262647 0.85 SCD (0.48) SCDSCD5FFAR1FFAR4LMNA
SCHEMBL3102844 0.81 SCD (0.69) SCDSCD5FFAR1FFAR4LMNA
SCHEMBL3323016 0.78 SCD (0.43) SCDSCD5FFAR1FFAR4GRM2
SCHEMBL3323942 0.76 SCD (0.54) SCDSCD5FFAR1FFAR4LMNA
SCHEMBL3232055 0.74 SCD (0.47) SCDSCD5GRM2LMNAPOLB
SCHEMBL3325378 0.74 SCD (0.51) SCDSCD5LMNAPOLBKDM4E
SCHEMBL3235762 0.71 SCD (0.55) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3100399 0.71 FFAR1 (0.48) SCDSCD5FFAR1FFAR4LMNA
SCHEMBL3324510 0.69 SCD (0.42) SCDSCD5FFAR1FFAR4GRM2
SCHEMBL3236099 0.68 FFAR1 (0.51) 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 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 2/4885FFAR1 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.