SCHEMBL2090900

SCHEMBL2090900

COC(=O)Nc1ccccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.55
ALDH1A1 P00352 4/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CFTR P13569 1/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL2090895 0.86 LPAR1 (0.49) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL10252993 0.86 POLB (0.58) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL514342 0.84 POLB (0.60) ALDH1A1POLBGAALMNAHPGD
SCHEMBL7223111 0.83 ALDH1A1 (0.59) LPAR1ALDH1A1POLBGAATHRB
SCHEMBL6448297 0.82 ALDH1A1 (0.55) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5497672 0.82 LPAR1 (0.52) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL11659356 0.82 HPGD (0.64) ALDH1A1POLBLMNAHPGDALOX15
SCHEMBL8207529 0.82 PLAU (0.47) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL10490015 0.82 LPAR2 (0.41) LPAR1ALDH1A1GAALMNAHPGD
SCHEMBL5032627 0.81 GRIN2D (0.60) LPAR1ALDH1A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102349540-B Pesticidal compositions SYNGENTA PARTICIPATIONS AG 2015-07-22 CN disclosed
CN-101077072-B Pesticide composition NOVARTIS AG 2012-08-08 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-102349540-A Pesticidal compositions SYNGENTA PARTICIPATIONS AG 2012-02-15 CN disclosed
EP-1506172-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-03-30 EP disclosed
CN-101836656-A Pesticidal compositions SYNGENTA PARTICIPATIONS AG 2010-09-22 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
CN-100399898-C Pesticide composition NOVARTS AG (CH) 2008-07-09 CN disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101147486-A Oxadiazine pesticidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2008-03-26 CN disclosed
CN-101099467-A Pesticidal compositions SYNGENTA CROP PROT INC (CH) 2008-01-09 CN disclosed
CN-101077072-A Pesticide composition NOVARTIS AG (CH) 2007-11-28 CN disclosed
CN-1739351-A Pesticide composition NOVARTS AG (CH) 2006-03-01 CN disclosed
CN-1401234-A Pesticide composition NOVARTIS AG (CH) 2003-03-12 CN disclosed
CN-1092488-C Pesticide composition NOVARTIS AG (CH) 2002-10-16 CN disclosed
US-6420381-B1 ACYL-COA: CHOLESTEROL ACYL TRANSFERASE (ACAT) INHIBITORY ACTIVITY, AND IS USEFUL AS AN AGENT FOR TREATMENT OF HYPERLIPIDEMIA AND ATHEROSCLEROSIS. SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-07-16 US disclosed
EP-1104763-A1 NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-06 EP disclosed
CN-1220578-A Pesticide composition NOVARTIS AG (CH) 1999-06-23 CN disclosed
CN-1161690-A Substituted pyridines, their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-08 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 LPAR1 916/4885ALDH1A1 412/4885GRIN2D 263/4885

“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.