SCHEMBL1248765

SCHEMBL1248765

O=C(NC1CCCc2ccccc21)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.58
TAS1R1 Q7RTX1 8/20 0.58
TAS1R2 Q8TE23 6/20 0.58
DGAT1 O75907 1/20 0.55
CHEK2 O96017 1/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
MMP14 P50281 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL1251606 0.94 DGAT1 (0.56) TAS1R3TAS1R1TAS1R2DGAT1CHEK2
SCHEMBL11407426 0.94 DGAT1 (0.56) TAS1R3TAS1R1TAS1R2DGAT1CHEK2
SCHEMBL1251024 0.81 DGAT1 (0.62) DGAT1CHEK2LMNASMN1; SMN2MAPK1
SCHEMBL1250990 0.80 DGAT1 (0.65) DGAT1CHEK2
SCHEMBL1250265 0.76 DGAT1 (0.58) DGAT1ALDH1A1HTTKDM4EHPGD
SCHEMBL1251605 0.76 DGAT1 (0.73) DGAT1CHEK2ALDH1A1LMNASMN1; SMN2
SCHEMBL1248742 0.76 DGAT1 (0.73) DGAT1CHEK2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3393778 0.75 HTT (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL3389867 0.75 HTT (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL3394421 0.75 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA

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 TAS1R3 1787/4885TAS1R1 1284/4885TAS1R2 1535/4885

“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.