SCHEMBL1249086

SCHEMBL1249086

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.79
▸ CHEK1 O14757 2/20 0.58
▸ MAPT P10636 1/20 0.56
▸ CHEK2 O96017 2/20 0.54
▸ PTGES O14684 1/20 0.54
▸ NR2E3 Q9Y5X4 2/20 0.54
▸ KDR P35968 2/20 0.52
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL1250358 0.91 DGAT1 (0.71) DGAT1CHEK1MAPTNR2E3KDR
SCHEMBL1251640 0.90 DGAT1 (0.79) DGAT1CHEK1CHEK2NR2E3KDR
SCHEMBL1251547 0.89 DGAT1 (0.84) DGAT1CHEK1MAPTCHEK2NR2E3
SCHEMBL1248774 0.88 DGAT1 (1.00) DGAT1CHEK1CHEK2NR2E3KDR
SCHEMBL1250303 0.88 DGAT1 (0.73) DGAT1MAPTCHEK2NR2E3KDR
SCHEMBL1249930 0.87 DGAT1 (0.85) DGAT1MAPTCHEK2NR2E3
SCHEMBL1251539 0.86 DGAT1 (0.84) DGAT1CHEK1CHEK2NR2E3KDR
SCHEMBL1250120 0.86 DGAT1 (0.73) DGAT1CHEK2NR2E3KDR
SCHEMBL1250342 0.85 DGAT1 (0.82) DGAT1CHEK2NR2E3KDR
SCHEMBL1249997 0.85 DGAT1 (0.82) DGAT1CHEK1MAPTCHEK2NR2E3

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 1/4885CHEK1 4091/4885MAPT 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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