SCHEMBL1248990

SCHEMBL1248990

CC(C)(C)C1CCC(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.57
CHEK1 O14757 1/20 0.49
SCD O00767 1/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
PRSS12 P56730 1/20 0.45
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 2/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CYP3A4 P08684 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
HPGDS O60760 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42

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
SCHEMBL1251024 0.87 DGAT1 (0.62) DGAT1CHEK1SCDJAK2TYK2
SCHEMBL1250265 0.78 DGAT1 (0.58) DGAT1SCDJAK2TYK2PRSS12
SCHEMBL1249081 0.77 DGAT1 (0.60) DGAT1SCDJAK2TYK2HDAC6
SCHEMBL1252157 0.77 DGAT1 (0.71) DGAT1HDAC6HDAC3HDAC7HDAC9
SCHEMBL1250162 0.77 DGAT1 (0.65) DGAT1SCDPRSS12HDAC6HDAC3
SCHEMBL1248424 0.76 DGAT1 (0.67) DGAT1NPC1ITGB1ITGA4ITGB7
SCHEMBL1251606 0.76 DGAT1 (0.56) DGAT1JAK2TYK2LMNAHPGDS
SCHEMBL11407426 0.76 DGAT1 (0.56) DGAT1JAK2TYK2LMNAHPGDS
SCHEMBL1250986 0.76 DGAT1 (0.67) DGAT1HDAC6HDAC3HDAC7HDAC9
SCHEMBL1251640 0.75 DGAT1 (0.79) DGAT1CHEK1HDAC6NPC1CYP3A4

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 4091/4885SCD 459/4885

“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.