SCHEMBL5213192

SCHEMBL5213192

O=[C]NCc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 2/20 0.42
ACHE P22303 4/20 0.40
GAA P10253 1/20 0.38
MAPK8 P45983 1/20 0.38
DAO P14920 1/20 0.38
MAOB P27338 1/20 0.38
GSK3B P49841 1/20 0.38
VNN1 O95497 1/20 0.38

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
SCHEMBL20896956 0.85 PSEN1 (0.40) SMN1; SMN2P2RX7MAPK8
SCHEMBL5546199 0.81 KDM1A (0.44) P2RX7
SCHEMBL25320706 0.81 HTR2A (0.42) P2RX7VNN1
SCHEMBL3304246 0.78 HDAC3 (0.49) KDM4ESMN1; SMN2MAOB
SCHEMBL3305866 0.76 SMN1; SMN2 (0.35) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL81122 0.76 LMNA (0.55) GAA
SCHEMBL6140760 0.75 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2MAPK8
SCHEMBL25588073 0.75 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2P2RX7
SCHEMBL3302714 0.75 NR3C1 (0.40)
SCHEMBL3237948 0.74 CA2 (0.41) P2RX7

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
EP-2376453-B1 INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2019-11-20 EP claimed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP claimed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 US claimed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 US claimed
EP-1322608-A1 DELTA1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 EP claimed
WO-2002024646-A1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO claimed
EP-2376453-B1 INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2019-11-20 EP disclosed
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-18 US disclosed
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 US disclosed
EP-1322608-A1 DELTA1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
WO-2002024646-A1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO 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 IDO1 3181/4885AGXT 2967/4885KDM4E 4854/4885
US-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP51A1, CBR3 IDO1 88/4885AGXT 1465/4885KDM4E 1011/4885
US-20040068122-A1 Delta1-pyrrolines used as pesticides DDT, ADRA1D, OPRD1 IDO1 342/4885AGXT 4306/4885KDM4E 3163/4885

“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.