SCHEMBL3320356

SCHEMBL3320356

COC(=O)c1cnc(-c2nnc(OCCCOc3cc(F)ccc3Br)s2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.51
SCD5 Q86SK9 1/20 0.43
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
KLF5 Q13887 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
SCHEMBL3324048 0.90 SCD (0.57) SCDSCD5FFAR1FFAR4
SCHEMBL13332587 0.77 SCD (0.77) SCDSCD5FFAR1FFAR4MEN1
SCHEMBL3235762 0.77 SCD (0.55) SCDSCD5FFAR1FFAR4MKNK2
SCHEMBL3606620 0.74 SCD (0.64) SCDSCD5
SCHEMBL13332578 0.74 SCD (0.73) SCDSCD5FFAR1FFAR4MEN1
SCHEMBL3323324 0.72 SCD (0.48) SCDSCD5FFAR1FFAR4
SCHEMBL3323243 0.68 FFAR4 (0.40) SCDSCD5HDAC3HDAC1HDAC2
SCHEMBL13332423 0.68 SCD (1.00) SCDSCD5
SCHEMBL2934404 0.67 KDM4E (0.46) KDM4EMAPTKMT2ATTR
SCHEMBL3324106 0.67 SCD (0.65) SCDSCD5MEN1KMT2A

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 2/4885HDAC3 495/4885

“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.