SCHEMBL1250238

SCHEMBL1250238

CC(C)(C)c1cc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc(C(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.72
▸ HDAC6 Q9UBN7 2/20 0.53
▸ CHEK1 O14757 1/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ NR2E3 Q9Y5X4 3/20 0.47
▸ KDR P35968 2/20 0.47
▸ CHEK2 O96017 2/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL1251640 0.92 DGAT1 (0.79) DGAT1HDAC6CHEK1CYP3A4NR2E3
SCHEMBL1250221 0.87 DGAT1 (0.85) DGAT1HDAC6CHEK1CYP3A4NR2E3
SCHEMBL1250413 0.86 DGAT1 (0.77) DGAT1HDAC6CYP3A4NR2E3KDR
SCHEMBL1249930 0.85 DGAT1 (0.85) DGAT1HDAC6CYP3A4NR2E3CHEK2
SCHEMBL1250358 0.85 DGAT1 (0.71) DGAT1CHEK1NR2E3KDR
SCHEMBL1249006 0.84 DGAT1 (0.62) DGAT1HDAC6CHEK1CYP3A4NR2E3
SCHEMBL1251669 0.84 DGAT1 (0.77) DGAT1CHEK1CYP3A4NR2E3KDR
SCHEMBL1251539 0.84 DGAT1 (0.84) DGAT1HDAC6CHEK1CYP3A4NR2E3
SCHEMBL1248774 0.84 DGAT1 (1.00) DGAT1HDAC6CHEK1CYP3A4NR2E3
SCHEMBL1249086 0.84 DGAT1 (0.79) DGAT1CHEK1NR2E3KDRCHEK2

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 1/4885HDAC6 1155/4885CHEK1 4091/4885

“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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