SCHEMBL3323016

SCHEMBL3323016

N#Cc1nnn(CCCCOc2cc(F)ccc2Br)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.43
SCD5 Q86SK9 1/20 0.43
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL3102808 0.78 SCD (0.48) SCDSCD5GRM2SMN1; SMN2FFAR1
SCHEMBL3102844 0.76 SCD (0.69) SCDSCD5MEN1KMT2AFFAR1
SCHEMBL3232055 0.75 SCD (0.47) SCDSCD5GRM2HTTALDH1A1
SCHEMBL3262647 0.75 SCD (0.48) SCDSCD5MAPTSMN1; SMN2FFAR1
SCHEMBL3323942 0.72 SCD (0.54) SCDSCD5MEN1HTTKMT2A
SCHEMBL3325378 0.71 SCD (0.51) SCDSCD5MEN1HTTKMT2A
SCHEMBL3099784 0.68 FFAR1 (0.44) SCDSCD5GRM2MAPTSMN1; SMN2
SCHEMBL3323324 0.68 SCD (0.48) SCDSCD5FFAR1FFAR4
SCHEMBL3102904 0.67 FFAR1 (0.49) SCDSCD5FFAR1FFAR4
SCHEMBL3111588 0.67 FFAR1 (0.46) SCDSCD5MAPTSMN1; SMN2FFAR1

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 2/4885GRM2 1948/4885

“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.