SCHEMBL3323942

SCHEMBL3323942

CCC(C(=O)O)n1nnc(-c2nnn(CCCCOc3cc(F)ccc3Br)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.54
SCD5 Q86SK9 1/20 0.51
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3325378 0.88 SCD (0.51) SCDSCD5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3102844 0.84 SCD (0.69) SCDSCD5MEN1KMT2ALMNA
SCHEMBL3324072 0.82 SCD (0.69) SCDSCD5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3323558 0.81 SCD (0.47) SCDSCD5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3321501 0.80 SCD (0.71) SCDSCD5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3328798 0.80 SCD (0.46) SCDSCD5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3324160 0.79 SCD (0.67) SCDSCD5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3262647 0.77 SCD (0.48) SCDSCD5ALDH1A1SMN1; SMN2NPSR1
SCHEMBL3102808 0.76 SCD (0.48) SCDSCD5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3232055 0.74 SCD (0.47) SCDSCD5ALDH1A1NPSR1LMNA

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 2/4885ALDH1A1 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.