SCHEMBL3045691

SCHEMBL3045691

CN1C(=O)C(F)(F)Oc2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL14320744 0.83 PDE3B (0.48) NR1H2NR1H3PDE3BPDE3AMEN1
SCHEMBL16601589 0.83 GABRG2 (0.42) GABRG2GABRB3GABRA5PDE3BPDE3A
SCHEMBL13340824 0.79 GABRG2 (0.40) GABRG2GABRB3GABRA5NR1H3PDE3B
SCHEMBL16275202 0.77 GABRG2 (0.34) GABRG2GABRB3GABRA5
SCHEMBL3039656 0.77 CASP1 (0.47) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL3032928 0.73 MAOA (0.47) GABRG2GABRB3GABRA5LMNA
SCHEMBL3594548 0.72 ACVR1 (0.42) NR1H2NR1H3MEN1KMT2AL3MBTL1
SCHEMBL6529925 0.71 ACVR1 (0.41) NR1H2NR1H3MEN1KMT2AL3MBTL1
SCHEMBL14320708 0.70 PDE3B (0.51) NR1H2NR1H3PDE3BPDE3ALRRK2
SCHEMBL8264186 0.68 REN (0.48)

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
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 WO disclosed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 US disclosed
EP-1478629-B1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN CO LLC (US) 2006-10-11 EP disclosed
US-6919329-B2 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-07-19 US disclosed
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US disclosed
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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 (6 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP GABRG2 14/4885GABRB3 10/4885GABRA5 1/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP GABRG2 14/4885GABRB3 10/4885GABRA5 1/4885
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 GABRG2 2419/4885GABRB3 2286/4885GABRA5 1495/4885
US-20040044052-A1 N-Aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 GABRG2 2419/4885GABRB3 2286/4885GABRA5 1495/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP GABRG2 14/4885GABRB3 10/4885GABRA5 1/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 GABRG2 2419/4885GABRB3 2286/4885GABRA5 1495/4885

“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.