SCHEMBL13834840

SCHEMBL13834840

CC(C)(C)OC(=O)N1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
TDO2 P48775 1/20 0.51
HSD11B1 P28845 1/20 0.46
NR1D1 P20393 2/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
IRAK1 P51617 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.41
STS P08842 2/20 0.40
PRKCQ Q04759 2/20 0.40
BRD3 Q15059 1/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MERTK Q12866 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 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
SCHEMBL13834692 0.90 IDO1 (0.49) IDO1TDO2NR1D1CCNT1CDK9
SCHEMBL19665598 0.85 IDO1 (0.47) IDO1TDO2NR1D1CCNT1CDK9
SCHEMBL13835056 0.85 HSD11B1 (0.44) HSD11B1IRAK1PRKCQ
SCHEMBL2636954 0.84 HSD11B1 (0.63) HSD11B1GPR119
SCHEMBL2636953 0.84 HSD11B1 (0.63) HSD11B1GPR119
SCHEMBL13834409 0.83 DPP4 (0.46) IDO1TDO2NR1D1CCNT1CDK9
SCHEMBL29712781 0.82 HSD11B1 (0.56) HSD11B1GPR119STS
SCHEMBL26671779 0.82 HSD11B1 (0.56) HSD11B1GPR119STS
SCHEMBL19665577 0.80 PRKCQ (0.49) IDO1TDO2IRAK1GPR119BCDIN3D
SCHEMBL1195416 0.80 IRAK1 (0.49) IDO1TDO2CCNT1CDK9IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY IDO1 2039/4885TDO2 2356/4885HSD11B1 304/4885

“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.