SCHEMBL1250221

SCHEMBL1250221

O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.85
▸ CHEK2 O96017 2/20 0.54
▸ KDR P35968 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ NR2E3 Q9Y5X4 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CHEK1 O14757 2/20 0.51
▸ ITGB1 P05556 1/20 0.50
▸ ITGA4 P13612 1/20 0.50
▸ ITGB7 P26010 1/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL1249424 0.93 DGAT1 (0.82) DGAT1CHEK2KDRNR2E3CYP3A4
SCHEMBL1248774 0.92 DGAT1 (1.00) DGAT1CHEK2KDRNR2E3CYP3A4
SCHEMBL1249930 0.91 DGAT1 (0.85) DGAT1CHEK2NR2E3CYP3A4ITGB1
SCHEMBL1250413 0.90 DGAT1 (0.77) DGAT1CHEK2KDRNR2E3CYP3A4
SCHEMBL1251669 0.90 DGAT1 (0.77) DGAT1CHEK2KDRNR2E3CYP3A4
SCHEMBL1249997 0.89 DGAT1 (0.82) DGAT1CHEK2KDRMAOBNR2E3
SCHEMBL1250649 0.88 DGAT1 (0.80) DGAT1CHEK2KDRMAOBNR2E3
SCHEMBL1251070 0.88 DGAT1 (0.80) DGAT1CHEK2KDRMAOBNR2E3
SCHEMBL1251547 0.88 DGAT1 (0.84) DGAT1CHEK2KDRNR2E3CHEK1
SCHEMBL1251539 0.88 DGAT1 (0.84) DGAT1CHEK2KDRNR2E3CYP3A4

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 1/4885CHEK2 4427/4885KDR 4765/4885

“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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