SCHEMBL1248735

SCHEMBL1248735

Cc1ccc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1C#N

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.69
CYP3A4 P08684 1/20 0.50
NR2E3 Q9Y5X4 4/20 0.49
KDR P35968 2/20 0.48
MAPT P10636 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
CHEK2 O96017 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
SCHEMBL1250412 0.88 DGAT1 (0.82) DGAT1CYP3A4NR2E3KDRHDAC3
SCHEMBL1249204 0.88 DGAT1 (0.77) DGAT1CYP3A4NR2E3KDRMAPT
SCHEMBL1250718 0.86 DGAT1 (0.76) DGAT1CYP3A4NR2E3KDRMAPT
SCHEMBL1250049 0.85 DGAT1 (0.79) DGAT1NR2E3KDRHDAC6CHEK2
SCHEMBL15252611 0.85 DGAT1 (0.61) DGAT1NR2E3KDRMAPT
SCHEMBL1249718 0.85 DGAT1 (0.71) DGAT1CYP3A4NR2E3KDRMAPT
SCHEMBL1248959 0.85 DGAT1 (0.86) DGAT1CYP3A4NR2E3KDRMAPT
SCHEMBL1251539 0.84 DGAT1 (0.84) DGAT1CYP3A4NR2E3KDRHDAC3
SCHEMBL1248653 0.84 DGAT1 (0.76) DGAT1CYP3A4NR2E3KDRHDAC3
SCHEMBL1250402 0.83 DGAT1 (0.75) DGAT1CYP3A4NR2E3KDRMAPT

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 2887/4885NR2E3 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.