SCHEMBL10299677

SCHEMBL10299677

Cc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)cc(CCC(=O)O)cc5C)[nH]c4c3)o2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.83
▸ GUSB P08236 8/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CHEK2 O96017 2/20 0.43

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
SCHEMBL1250496 0.93 DGAT1 (0.80) DGAT1GUSBCHEK2
SCHEMBL30385298 0.91 DGAT1 (1.00) DGAT1GUSBCHEK2
SCHEMBL1252216 0.91 DGAT1 (1.00) DGAT1GUSBCHEK2
SCHEMBL13695119 0.90 DGAT1 (0.69) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL10299680 0.85 DGAT1 (0.62) DGAT1GUSB
SCHEMBL1252823 0.83 DGAT1 (0.66) DGAT1GUSBCHEK2
SCHEMBL1252747 0.83 DGAT1 (0.85) DGAT1GUSBKDM4EALDH1A1HPGD
SCHEMBL31326547 0.82 DGAT1 (0.83) DGAT1CHEK2
SCHEMBL1252030 0.82 DGAT1 (0.83) DGAT1CHEK2
SCHEMBL1252829 0.81 DGAT1 (0.64) DGAT1GUSBMMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 — — US disclosed
US-20110077277-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-03-31 — — 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-20110077277-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885GUSB 217/4885MMP2 4423/4885

“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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