SCHEMBL3322958

SCHEMBL3322958

N#Cc1nnc(OCCCOc2cc(C(F)(F)F)ccc2Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.37
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 1/20 0.32
MRGPRX4 Q96LA9 3/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
NOS2 P35228 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL3323324 0.85 SCD (0.48) SCD
SCHEMBL3322264 0.79 SCD (0.43) SCDKDM4EHTTKMT2AMRGPRX4
SCHEMBL3321582 0.75 SCD (0.35) SCD
SCHEMBL18608786 0.72 KDM4E (0.45) KDM4EALDH1A1HSD17B10HTTKMT2A
SCHEMBL18608433 0.72 L3MBTL1 (0.38) KDM4EALDH1A1HSD17B10HTTKMT2A
SCHEMBL3324414 0.70 SCD (0.61) SCDALDH1A1KMT2A
SCHEMBL3323835 0.70 L3MBTL1 (0.37) KDM4EALDH1A1HSD17B10HTTKMT2A
SCHEMBL3324430 0.70 CYP11B1 (0.39) KDM4EALDH1A1HTTKMT2ACYP19A1
SCHEMBL23648069 0.70 L3MBTL1 (0.38) KDM4EALDH1A1HSD17B10HTTKMT2A
SCHEMBL3324075 0.70 TDP1 (0.46) KDM4EALDH1A1HTTKMT2ASCN8A

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 1/4885KDM4E 2490/4885ALDH1A1 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.