SCHEMBL1250358

SCHEMBL1250358

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.71
▸ MAPT P10636 2/20 0.54
▸ CHEK1 O14757 1/20 0.52
▸ LCK P06239 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NR2E3 Q9Y5X4 2/20 0.51
▸ KDR P35968 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ RXFP1 Q9HBX9 4/20 0.50

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
SCHEMBL1249086 0.91 DGAT1 (0.79) DGAT1MAPTCHEK1NR2E3KDR
SCHEMBL1250303 0.87 DGAT1 (0.73) DGAT1MAPTNR2E3KDR
SCHEMBL1249424 0.86 DGAT1 (0.82) DGAT1MAPTCHEK1MEN1POLB
SCHEMBL1249930 0.86 DGAT1 (0.85) DGAT1MAPTMEN1POLBKMT2A
SCHEMBL1250343 0.85 DGAT1 (0.80) DGAT1MAPTMEN1POLBKMT2A
SCHEMBL1250861 0.85 DGAT1 (0.67) DGAT1MAPTNR2E3KDR
SCHEMBL1250120 0.85 DGAT1 (0.73) DGAT1NR2E3KDR
SCHEMBL1250238 0.85 DGAT1 (0.72) DGAT1CHEK1NR2E3KDR
SCHEMBL1250402 0.85 DGAT1 (0.75) DGAT1MAPTMEN1POLBKMT2A
SCHEMBL1250241 0.85 DGAT1 (0.75) DGAT1MAPTMEN1POLBKMT2A

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 1/4885MAPT 1210/4885CHEK1 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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