SCHEMBL2179489

SCHEMBL2179489

COC(=O)C(C)(C)N1Cc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAP3K5 Q99683 3/20 0.40
ABCB1 P08183 1/20 0.39
SLC6A3 Q01959 2/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP2 O95551 1/20 0.36
WDR5 P61964 1/20 0.36
CYP26A1 O43174 1/20 0.35

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
SCHEMBL2181030 0.84 MAP3K5 (0.42) CYP2C19ALDH1A1MAP3K5ABCB1MAPK1
SCHEMBL2195538 0.78 ABCB1 (0.38) ABCB1SLC6A3MAPTSMN1; SMN2MEN1
SCHEMBL2197334 0.77 SLC6A3 (0.38) MAP3K5ABCB1SLC6A3SMN1; SMN2MAPK1
SCHEMBL2201078 0.77 SLC6A3 (0.38) CYP2C19ABCB1SLC6A3MAPTSMN1; SMN2
SCHEMBL2178347 0.76 GABRA1 (0.36) ALDH1A1MAP3K5SMN1; SMN2MEN1GAA
SCHEMBL13718608 0.76 PTPN1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1GAA
SCHEMBL2177022 0.76 TRPV1 (0.47) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13829376 0.76 PRF1 (0.45) TDP2
SCHEMBL2178147 0.75 NPC1 (0.46) ABCB1SMN1; SMN2
SCHEMBL2181064 0.72 SDCBP (0.45) POLBMAP3K5MAPK1TDP2

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 CYP2C19 2461/4885ALDH1A1 715/4885POLB 3189/4885

“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.