SCHEMBL1250120

SCHEMBL1250120

O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.73
▸ KDR P35968 2/20 0.58
▸ NR2E3 Q9Y5X4 4/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KCNQ3 O43525 1/20 0.50
▸ KCNQ2 O43526 1/20 0.50
▸ KCNE1 P15382 1/20 0.50
▸ KCNQ1 P51787 1/20 0.50
▸ CHEK2 O96017 1/20 0.48
▸ GRM4 Q14833 1/20 0.47
▸ FOXO1 Q12778 1/20 0.47

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
SCHEMBL1250303 0.92 DGAT1 (0.73) DGAT1KDRNR2E3HDAC3HDAC7
SCHEMBL1250649 0.89 DGAT1 (0.80) DGAT1KDRNR2E3CHEK2
SCHEMBL1251070 0.89 DGAT1 (0.80) DGAT1KDRNR2E3CHEK2
SCHEMBL1248653 0.87 DGAT1 (0.76) DGAT1KDRNR2E3HDAC3HDAC7
SCHEMBL1249086 0.86 DGAT1 (0.79) DGAT1KDRNR2E3CHEK2
SCHEMBL1250358 0.85 DGAT1 (0.71) DGAT1KDRNR2E3
SCHEMBL1251547 0.85 DGAT1 (0.84) DGAT1KDRNR2E3CHEK2
SCHEMBL1248774 0.85 DGAT1 (1.00) DGAT1KDRNR2E3HDAC6CHEK2
SCHEMBL15252841 0.84 DGAT1 (0.57) DGAT1KDRNR2E3CHEK2GRM4
SCHEMBL1250997 0.84 DGAT1 (0.58) DGAT1KDRNR2E3HDAC3HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — 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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885KDR 4765/4885NR2E3 1657/4885

“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.

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