SCHEMBL3323835

SCHEMBL3323835

FC(F)(F)c1ccc(Br)c(OCCCS)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.36
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A4 P31645 2/20 0.34
PTPN1 P18031 1/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3328928 0.88 AGXT (0.38) L3MBTL1CYP11B1CYP11B2CYP19A1SLC6A4
SCHEMBL18608433 0.85 L3MBTL1 (0.38) L3MBTL1CYP11B1CYP11B2CYP19A1SCN8A
SCHEMBL3324430 0.84 CYP11B1 (0.39) L3MBTL1CYP11B1CYP11B2CYP19A1SCN8A
SCHEMBL23648069 0.83 L3MBTL1 (0.38) L3MBTL1CYP11B1CYP11B2CYP19A1SCN8A
SCHEMBL18608786 0.83 KDM4E (0.45) L3MBTL1SCN8ASCN10AHTTKDM4E
SCHEMBL23648160 0.82 SLC6A4 (0.45) L3MBTL1CYP11B1CYP11B2CYP19A1SCN8A
SCHEMBL4524498 0.81 KDM4E (0.52) L3MBTL1CYP11B1CYP11B2CYP19A1SCN8A
SCHEMBL30549876 0.81 KDM4E (0.52) L3MBTL1CYP11B1CYP11B2CYP19A1SCN8A
SCHEMBL3322824 0.81 HTR2A (0.43) L3MBTL1CYP11B1CYP11B2CYP19A1KMT2A
SCHEMBL3324075 0.80 TDP1 (0.46) SCN8AHTTKDM4EKMT2ASLC6A4

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 L3MBTL1 2189/4885CYP11B1 121/4885CYP11B2 139/4885

“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.