SCHEMBL3679283

SCHEMBL3679283

N#Cc1cc(C#N)c(O)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.54
ALB P02768 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA14 Q9ULX7 1/20 0.42
VCAM1 P19320 1/20 0.39
PTPN11 Q06124 1/20 0.37
MMP3 P08254 1/20 0.37
GPR35 Q9HC97 3/20 0.34
TSHR P16473 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MIF P14174 1/20 0.33
ENPP2 Q13822 2/20 0.32
UPP1 Q16831 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL7366982 0.87 TTR (0.48) TTRALBMEN1KMT2ACA9
SCHEMBL11862401 0.84 TTR (0.75) TTRALBMEN1KMT2ACA9
SCHEMBL31053022 0.84 TTR (0.45) TTRALBMEN1KMT2ACA9
SCHEMBL11871037 0.84 TTR (0.75) TTRALBMEN1KMT2ACA9
SCHEMBL11835656 0.79 ERN1 (0.41) TTRALBMEN1KMT2AVCAM1
SCHEMBL4959352 0.79 XDH (0.41) TTRALBMEN1KMT2AGPR35
SCHEMBL9244309 0.79 TTR (0.45) TTRALBMEN1KMT2ACA9
SCHEMBL11332961 0.77 TTR (0.43) TTRALBMEN1KMT2ACA9
SCHEMBL28490634 0.76 VCAM1 (0.58) TTRMEN1KMT2AVCAM1GPR35
SCHEMBL29216775 0.76 SELL (0.43) TTRALBMEN1KMT2ACA2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses MITOPOWER LLC 2023-08-17 US disclosed
EP-3986420-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES Mitopower LLC (US) 2022-04-27 EP disclosed
WO-2020257283-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES MITOPOWER LLC (US) 2020-12-24 WO disclosed
US-20200397807-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES MITOPOWER LLC 2020-12-24 US disclosed
EP-1098641-B1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-20150056160-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. 2015-02-26 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20100056643-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST. JUDE PHARMACEUTICALS, INC. 2010-03-04 US disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1098641-A4 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2003-08-27 EP disclosed
EP-1098641-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA Texas Pharmaceuticals, Inc. (US) 2001-05-16 EP disclosed
WO-2000006143-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. (US) 2000-02-10 WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TTR 3990/4885ALB 3748/4885MEN1 3295/4885
US-20200397807-A1 NICOTINYL RIBOSIDE COMPOUNDS AND THEIR USES NADK, NNT, NAMPT TTR 3440/4885ALB 4475/4885MEN1 3810/4885
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT TTR 3440/4885ALB 4475/4885MEN1 3810/4885

“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.