SCHEMBL1248743

SCHEMBL1248743

COc1ccccc1NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PDE4D Q08499 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ FOXO1 Q12778 1/20 0.51
▸ TP53 P04637 3/20 0.49
▸ AHR P35869 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1250296 0.90 DGAT1 (0.67) DGAT1HDAC6MEN1KMT2ACYP3A4
SCHEMBL1249943 0.87 DGAT1 (0.69) DGAT1HDAC6NPC1RAB9AMEN1
SCHEMBL26755194 0.85 NPSR1 (0.66) HDAC6NPC1RAB9ANPSR1TP53
SCHEMBL1248740 0.85 DGAT1 (0.73) DGAT1HDAC6NPC1RAB9AMEN1
SCHEMBL1251001 0.85 DGAT1 (0.73) DGAT1HDAC6NPC1RAB9ATP53
SCHEMBL1251146 0.85 DGAT1 (0.72) DGAT1HDAC6NPC1RAB9AMEN1
SCHEMBL1250958 0.85 DGAT1 (0.69) DGAT1HDAC6NPC1RAB9ANPSR1
SCHEMBL1250144 0.85 DGAT1 (0.69) DGAT1HDAC6NPC1RAB9AMEN1
SCHEMBL15252625 0.84 DGAT1 (0.53) DGAT1HDAC6NPC1RAB9AMEN1
SCHEMBL1248809 0.84 DGAT1 (0.71) DGAT1HDAC6NPC1RAB9AMEN1

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 1/4885HDAC6 1155/4885NPC1 32/4885

“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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