SCHEMBL1248766

SCHEMBL1248766

O=C(Nc1cccc(Cl)c1)c1ccc2nc(-c3c(Cl)cccc3[N+](=O)[O-])[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.66
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.48
CHEK2 O96017 2/20 0.48
NR2E3 Q9Y5X4 3/20 0.48
KDR P35968 2/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1249959 0.95 DGAT1 (0.61) DGAT1KMT2AMEN1MAPTPOLB
SCHEMBL1249424 0.89 DGAT1 (0.82) DGAT1KMT2AMEN1MAPTPOLB
SCHEMBL15252678 0.85 DGAT1 (0.52) DGAT1KMT2AMEN1MAPTIRAK4
SCHEMBL1250039 0.85 DGAT1 (0.71) DGAT1KMT2AMEN1MAPTPOLB
SCHEMBL3177962 0.83 DGAT1 (0.53) DGAT1MAPTPOLBCHEK2
SCHEMBL1250221 0.83 DGAT1 (0.85) DGAT1CHEK2NR2E3KDRHDAC6
SCHEMBL1250691 0.83 DGAT1 (0.77) DGAT1KMT2AMEN1MAPTPOLB
SCHEMBL1249380 0.82 DGAT1 (0.67) DGAT1KMT2AMEN1POLBALDH1A1
SCHEMBL1250454 0.81 DGAT1 (0.66) DGAT1KMT2AMEN1MAPTPOLB
SCHEMBL1250909 0.81 DGAT1 (0.77) DGAT1KMT2AMEN1MAPTPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KMT2A 1849/4885MEN1 3613/4885

“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.