SCHEMBL2198267

SCHEMBL2198267

O=C(O)C1CCCC1N1Cc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP8 P22894 8/20 0.34
MMP3 P08254 4/20 0.34
USP30 Q70CQ3 1/20 0.34
SCN9A Q15858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13718536 1.00 L3MBTL1 (0.38) L3MBTL1TDP2ALDH1A1KMT2APOLB
SCHEMBL2194255 0.84 CRBN (0.41) TDP2ALDH1A1KMT2A
SCHEMBL2196984 0.82 MEN1 (0.43) TDP2KMT2APOLBMAPK1MMP8
SCHEMBL2196992 0.82 MEN1 (0.43) TDP2KMT2APOLBMAPK1MMP8
SCHEMBL13718868 0.77 DGAT1 (0.46)
SCHEMBL2228439 0.77 DGAT1 (0.46)
SCHEMBL2178972 0.75 DGAT1 (0.43) POLB
SCHEMBL2179473 0.75 DGAT1 (0.43) POLB
SCHEMBL2195082 0.75 MAPT (0.43) ALDH1A1KMT2APOLB
SCHEMBL13829376 0.71 PRF1 (0.45) TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT L3MBTL1 1071/4885TDP2 928/4885ALDH1A1 715/4885

“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.