SCHEMBL2009590

SCHEMBL2009590

CC(C)(C)OC(=O)N1CCC(CNc2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TDO2 P48775 1/20 0.52
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47
GPR119 Q8TDV5 7/20 0.44
CYP2C9 P11712 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
NR1D1 P20393 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NAMPT P43490 2/20 0.42
ACKR3 P25106 1/20 0.41
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL13834484 1.00 IDO1 (0.52) IDO1TDO2JAK2JAK3PTK2
SCHEMBL4718908 0.94 KDM4E (0.48) IDO1TDO2GPR119CYP2C9KDM4E
SCHEMBL13960438 0.86 IDO1 (0.51) IDO1TDO2JAK2JAK3PTK2
SCHEMBL2009591 0.85 GRIN2B (0.40) IDO1TDO2JAK2GPR119CYP2C9
SCHEMBL13834763 0.84 IDO1 (0.55) IDO1TDO2JAK2JAK3PTK2
SCHEMBL13834569 0.84 MEN1 (0.45) CYP2C9NAMPTMEN1KMT2A
SCHEMBL2014265 0.84 MEN1 (0.45) CYP2C9NAMPTMEN1KMT2A
SCHEMBL18741618 0.83 MEN1 (0.53) GPR119MEN1KMT2A
SCHEMBL18741616 0.83 MEN1 (0.53) GPR119MEN1KMT2A
SCHEMBL18075571 0.82 IDO1 (0.49) IDO1TDO2JAK2JAK3PTK2

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 3 patents. 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
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY IDO1 2039/4885TDO2 2356/4885JAK2 2314/4885

“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.