SCHEMBL1250413

SCHEMBL1250413

Cc1cc(C)cc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.77
▸ CYP3A4 P08684 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HDAC3 O15379 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ MMP8 P22894 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ THRB P10828 1/20 0.50
▸ NR2E3 Q9Y5X4 3/20 0.49
▸ KDR P35968 2/20 0.49
▸ CHEK2 O96017 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
SCHEMBL1250402 0.93 DGAT1 (0.75) DGAT1CYP3A4KMT2AHDAC3HDAC7
SCHEMBL1251539 0.91 DGAT1 (0.84) DGAT1CYP3A4HDAC3HDAC7HDAC6
SCHEMBL1250221 0.90 DGAT1 (0.85) DGAT1CYP3A4HDAC6NR2E3KDR
SCHEMBL1249930 0.88 DGAT1 (0.85) DGAT1CYP3A4KMT2AHDAC3HDAC6
SCHEMBL1249204 0.87 DGAT1 (0.77) DGAT1CYP3A4HDAC3HDAC7HDAC6
SCHEMBL1250412 0.87 DGAT1 (0.82) DGAT1CYP3A4HDAC3HDAC7HDAC6
SCHEMBL1251669 0.87 DGAT1 (0.77) DGAT1CYP3A4KMT2ATHRBNR2E3
SCHEMBL1248774 0.87 DGAT1 (1.00) DGAT1CYP3A4HDAC6NR2E3KDR
SCHEMBL1250238 0.86 DGAT1 (0.72) DGAT1CYP3A4HDAC3HDAC7HDAC6
SCHEMBL1251146 0.86 DGAT1 (0.72) DGAT1CYP3A4KMT2AHDAC6CHEK2

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 1/4885CYP3A4 2887/4885KMT2A 1849/4885

“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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