SCHEMBL2179713

SCHEMBL2179713

O=[N+]([O-])c1ccc(-c2ccc(CO)c(CO)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
APP P05067 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CES1 P23141 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL260788 0.85 CYP1A2 (0.51) TSHRPOLBMAPK1CA1CA2
SCHEMBL29367937 0.85 CYP1A2 (0.51) TSHRPOLBMAPK1CA1CA2
SCHEMBL14524934 0.85 ALDH1A1 (0.44) TSHRPOLBMAPK1CA1CA2
SCHEMBL2180238 0.79 CA12 (0.44) POLBMAPK1CA1CA2CA12
SCHEMBL28626894 0.79 PTGS2 (0.48) TSHRPOLBCA1CA2CA12
SCHEMBL2161220 0.78 GABRA1 (0.38) APPMAPTKDM4EALDH1A1
SCHEMBL16950838 0.76 POLB (0.52) TSHRPOLBMAPK1CA1CA2
SCHEMBL14713552 0.76 TDP1 (0.52) TSHRPOLBCA12MAPTCYP1A2
SCHEMBL28198 0.76 CA1 (0.67) POLBMAPK1CA1CA2CA12
SCHEMBL6423919 0.76 CA1 (0.67) POLBMAPK1CA1CA2CA12

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 TSHR 3334/4885POLB 3189/4885MAPK1 2072/4885

“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.