SCHEMBL21064879

SCHEMBL21064879

CC(C)Oc1nc(-c2ccc(Br)cc2F)nn1COCCS(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.55
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21064883 0.88 DGAT1 (0.42) DGAT1
SCHEMBL16661005 0.87 DGAT1 (0.72) DGAT1NPC1LMNANFKB1RAB9A
SCHEMBL21064882 0.84 DGAT1 (0.78) DGAT1
SCHEMBL16661032 0.82 DGAT1 (0.50) DGAT1
SCHEMBL20428782 0.82 DGAT1 (0.41) DGAT1
SCHEMBL16661248 0.75 DGAT1 (0.56) DGAT1
SCHEMBL16660890 0.73 DGAT1 (0.80) DGAT1NPC1SMN1; SMN2
SCHEMBL21064830 0.73 DGAT1 (0.46) DGAT1
SCHEMBL16661013 0.71 DGAT1 (1.00) DGAT1
SCHEMBL16661026 0.71 DGAT1 (1.00) DGAT1NPC1

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-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 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-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885NPC1 796/4885LMNA 2943/4885

“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.