SCHEMBL255479

SCHEMBL255479

O=C(CNCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
ALDH1A1 P00352 1/20 0.56
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD11B1 P28845 1/20 0.49
CES2 O00748 1/20 0.49
SRD5A2 P31213 1/20 0.49
MMP8 P22894 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL240086 0.83 GSK3B (0.71) GSK3BALDH1A1CES1CA1CA2
SCHEMBL11510574 0.83 GSK3B (0.71) GSK3BALDH1A1CES1CA1CA2
SCHEMBL255269 0.82 GSK3B (0.61) GSK3BALDH1A1CES1CA1CA2
SCHEMBL23728052 0.81 GSK3B (0.59) GSK3BALDH1A1CES1CA1CA2
SCHEMBL18045560 0.80 GSK3B (0.62) GSK3BALDH1A1CES1CA1CA2
SCHEMBL2239801 0.79 GSK3B (0.67) GSK3BALDH1A1CES1CA1CA2
SCHEMBL9734470 0.79 GSK3B (0.67) GSK3BALDH1A1CES1CA1CA2
SCHEMBL4472065 0.79 SMN1; SMN2 (0.58) GSK3BALDH1A1CES1CA1CA2
SCHEMBL2293183 0.79 GSK3B (0.57) GSK3BALDH1A1CES1CA1CA2
SCHEMBL6756984 0.79 GSK3B (0.57) GSK3BALDH1A1CES1CA1CA2

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-8722901-B2 Carboxy oxazole or thiazole compounds as DGAT-1 inhibitors useful for the treatment of obesity Piramal Enterprises Limited (IN) 2014-05-13 US disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
US-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY Piramal Enterprises Limited (IN) 2012-08-23 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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 (2 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 GSK3B 1070/4885ALDH1A1 369/4885CES1 110/4885
US-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY DGAT1, DGAT2, DLAT GSK3B 1342/4885ALDH1A1 592/4885CES1 22/4885

“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.