SCHEMBL5535534

SCHEMBL5535534

[CH2]c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.61
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
PDK2 Q15119 1/20 0.53
EPHX2 P34913 1/20 0.51
PGR P06401 3/20 0.50
GRIA1 P42261 2/20 0.50
CACNG8 Q8WXS5 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CMA1 P23946 2/20 0.47
GAA P10253 1/20 0.46
EIF2AK2 P19525 1/20 0.46
SMYD3 Q9H7B4 1/20 0.44
MAOB P27338 3/20 0.44
KIF11 P52732 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL5543910 0.82 NPC1 (0.55) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL12427789 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL1459491 0.76 TDP2 (0.62) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL22660 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL6431 0.76 AHR (0.72) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL2468488 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL19391 0.76 AHR (0.67) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL433708 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL152963 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL154614 0.76 AHR (1.00) AHRPDE3BPDE3APDK2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1168138-A Aryl and heteroaryl purine compounds PHARMACIA & UPJOHN SPA (IT) 1997-12-17 CN claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN 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
US-6503898-B1 Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US disclosed
CN-1168138-A Aryl and heteroaryl purine compounds PHARMACIA & UPJOHN SPA (IT) 1997-12-17 CN 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AHR 1471/4885PDE3B 3677/4885PDE3A 4066/4885

“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.