SCHEMBL1897260

SCHEMBL1897260

CC(C)(C)OC(=O)Nc1ccc(CN2CCOCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.55
EPAS1 Q99814 2/20 0.55
NAMPT P43490 1/20 0.49
CNR2 P34972 7/20 0.47
TSHR P16473 1/20 0.47
F10 P00742 1/20 0.47
CD274 Q9NZQ7 1/20 0.46
CNR1 P21554 3/20 0.46
GRIN2B Q13224 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
BDKRB1 P46663 1/20 0.45
CHEK1 O14757 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL28792490 0.89 HIF1A (0.48) HIF1AEPAS1CNR2TSHRF10
SCHEMBL1126359 0.87 NAMPT (0.50) HIF1AEPAS1NAMPTGRIN2BPOLB
SCHEMBL15618408 0.87 FGFR3 (0.51) NAMPTF10GRIN2BCHEK1
SCHEMBL5342057 0.85 CNR2 (0.65) HIF1AEPAS1CNR2TSHRF10
SCHEMBL13701570 0.83 CDK5 (0.49) CNR2CD274CNR1
SCHEMBL22571323 0.82 CD274 (0.61) HIF1AEPAS1TSHRCD274HRH3
SCHEMBL1902169 0.82 HIF1A (0.60) HIF1AEPAS1CNR2TSHRF10
SCHEMBL1126215 0.81 PDCD1 (0.54) NAMPTF10CD274GRIN2B
SCHEMBL9980716 0.81 NAMPT (0.47) HIF1AEPAS1NAMPTCD274GRIN2B
SCHEMBL1126213 0.81 PDCD1 (0.54) NAMPTF10CD274GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 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 (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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 HIF1A 659/4885EPAS1 1095/4885NAMPT 102/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 HIF1A 998/4885EPAS1 1288/4885NAMPT 65/4885

“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.