SCHEMBL5542983

SCHEMBL5542983

CC1(COC(=O)Nc2ccc(Cl)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.53
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5535073 0.90 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5534763 0.86 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542198 0.84 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542192 0.84 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542204 0.84 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5544372 0.84 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541204 0.83 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541198 0.83 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541200 0.83 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL2090397 0.83 PTGS1 (0.59) KCNH2PTGS1SLC6A2SLC6A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455399-B2 N-(4-perfluoroalkyl-phenyl)-4-triazolyl-benzamides as insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-06-04 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
US-20130023571-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-01-24 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2427439-B1 N-(4-PERFLUOROALKYL-PHENYL)-4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-16 EP 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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885
US-20130023571-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES PFAS, AADAC, FABP5 KCNH2 901/4885PTGS1 2740/4885SLC6A2 4517/4885

“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.