Sugi Predict

Sugi Predict / Compounds / SCHEMBL58326

SCHEMBL58326

SCHEMBL58326

C[C@](O)(CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ KCNH2 Q12809 4/20 0.42
▸ MAPT P10636 3/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ AR P10275 1/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL58327 1.00 PTGS1 (0.44) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5542825 0.88 ENPP2 (0.41) PPARDPPARALMNAARENPP2
SCHEMBL5535653 0.88 KMT2A (0.42) MAPTLMNAENPP2L3MBTL1
SCHEMBL5535657 0.88 KMT2A (0.42) MAPTLMNAENPP2L3MBTL1
SCHEMBL5536163 0.87 PTGS1 (0.43) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5536156 0.87 PTGS1 (0.43) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5540739 0.86 PTGS1 (0.48) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL14438025 0.86 LMNA (0.50) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5546655 0.85 MCHR1 (0.40) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5542314 0.85 MCHR1 (0.40) PTGS1SLC6A2SLC6A4KCNH2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644599-B1 Method for preparing a 2-halo-4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2014-12-10 — — EP disclosed
EP-2644611-A1 METAL COMPLEX COMPOUND, HYDROGEN PRODUCTION CATALYST AND HYDROGENATION REACTION CATALYST EACH COMPRISING THE METAL COMPLEX COMPOUND, AND HYDROGEN PRODUCTION METHOD AND HYDROGENATION METHOD EACH USING THE CATALYST National University Corporation Okayama University (JP) 2013-10-02 — — EP disclosed
EP-2644599-A1 Method for preparing 1-substituted-4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-02 — — EP 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-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same OTSUKA PHARMACEUTICAL CO., LTD. 2012-05-24 — — US disclosed
US-8129544-B2 Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-06 — — US disclosed
US-7807843-B2 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 — — US disclosed
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. 2008-08-21 — — US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 — — US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 — — US 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
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 — — 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 (5 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-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR PTGS1 958/4885SLC6A2 2661/4885SLC6A4 2177/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR PTGS1 899/4885SLC6A2 2755/4885SLC6A4 1879/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR PTGS1 958/4885SLC6A2 2661/4885SLC6A4 2177/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR PTGS1 958/4885SLC6A2 2661/4885SLC6A4 2177/4885

“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.