SCHEMBL1248837

SCHEMBL1248837

O=C(Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CA9 Q16790 4/20 0.56
▸ CA12 O43570 3/20 0.56
▸ MAP2K1 Q02750 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ KDR P35968 2/20 0.45
▸ CHEK1 O14757 2/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 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
SCHEMBL1251185 0.87 DGAT1 (0.65) DGAT1KDM4EMAPTNPSR1CA9
SCHEMBL15252653 0.86 KDM4E (0.52) DGAT1KDM4EMAPTNPSR1CA9
SCHEMBL1250303 0.84 DGAT1 (0.73) DGAT1MAPTKDRHDAC3HDAC7
SCHEMBL1250721 0.83 DGAT1 (0.59) DGAT1MAPTCHEK1NR2E3
SCHEMBL1250120 0.83 DGAT1 (0.73) DGAT1KDRHDAC3HDAC7HDAC10
SCHEMBL1249086 0.81 DGAT1 (0.79) DGAT1MAPTKDRCHEK1NR2E3
SCHEMBL1250358 0.80 DGAT1 (0.71) DGAT1KDM4EMAPTKMT2AKDR
SCHEMBL1251551 0.79 DGAT1 (0.69) DGAT1KDM4EMAPTNPSR1CA9
SCHEMBL1249997 0.78 DGAT1 (0.82) DGAT1KDM4EMAPTKMT2AKDR
SCHEMBL1250649 0.78 DGAT1 (0.80) DGAT1KDRCHEK1NR2E3

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 1/4885KDM4E 4129/4885MAPT 1210/4885

“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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