SCHEMBL2180238

SCHEMBL2180238

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
GSK3B P49841 1/20 0.43
APP P05067 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29368452 0.85 CYP1A2 (0.47) GSK3BMAPTLMNAPOLBMAPK1
SCHEMBL260864 0.85 CYP1A2 (0.47) GSK3BMAPTLMNAPOLBMAPK1
SCHEMBL2179713 0.79 TSHR (0.46) CA12CA1CA2CA9CA14
SCHEMBL21694445 0.78 GABRA1 (0.33) ALDH1A1TDP1CYP3A4
SCHEMBL28736666 0.77 PTGS2 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6488374 0.77 LOXL2 (0.55) CA12CA1CA2CA9CA14
SCHEMBL2177730 0.77 SLC6A3 (0.46) CA12CA1CA2CA9GSK3B
SCHEMBL2179195 0.77 SLC6A3 (0.46) CA12CA1CA2CA9GSK3B
SCHEMBL19336225 0.76 POLB (0.52) GSK3BMAPTLMNAPOLBALDH1A1
SCHEMBL28218218 0.76 POLB (0.52) GSK3BMAPTLMNAPOLBALDH1A1

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 CA12 4714/4885CA1 4392/4885CA2 2988/4885

“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.