SCHEMBL3213407

SCHEMBL3213407

O=c1[nH]c2ncc([N+](=O)[O-])cc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.39
ALDH1A1 P00352 4/20 0.38
IDO1 P14902 1/20 0.38
EPHX2 P34913 1/20 0.36
NOTUM Q6P988 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KAT2B Q92831 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA2 P47869 1/20 0.33
AHR P35869 1/20 0.33
GRIA1 P42261 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
SCHEMBL3588183 0.73 PDE3B (0.39) PSMB8PDE3BPDE3AMAPT
SCHEMBL12232243 0.73 NOS1 (0.49) PDE3BPDE3A
SCHEMBL3075895 0.73 NOS1 (0.49) PSMB8PDE3BPDE3AMEN1KMT2A
SCHEMBL488612 0.73 AURKA (0.49) ALDH1A1PDE3BPDE3AMAPT
SCHEMBL8478336 0.70 GRIA1 (0.54) ALDH1A1MAPTGRIA1GRIA2GRIA3
SCHEMBL20569889 0.70 PRKD3 (0.54) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL217228 0.70 NOS1 (0.54) PSMB8ALDH1A1PDE3BPDE3AMEN1
SCHEMBL21048201 0.69 ALDH1A1 (0.46) PSMB8ALDH1A1EPHX2MEN1KMT2A
SCHEMBL11916127 0.69 PDE3B (0.39) NOTUMPDE3BPDE3A
SCHEMBL17429248 0.69 PDE3B (0.39) NOTUMPDE3BPDE3A

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 41 patents — showing the first 20. 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
US-9186361-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2015-11-17 US disclosed
US-9186361-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2015-11-17 US disclosed
US-9186361-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2015-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 WO disclosed
WO-2014151729-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 WO disclosed
WO-2014151729-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-09-25 WO disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
US-5869659-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
EP-0785201-A1 Heterodatom containing cyclopentanopyridyl-Oxazolidinones BAYER AG (DE) 1997-07-23 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 (4 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 PSMB8 2504/4885ALDH1A1 336/4885IDO1 858/4885
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B PSMB8 3546/4885ALDH1A1 1196/4885IDO1 1248/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP PSMB8 2504/4885ALDH1A1 336/4885IDO1 858/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP PSMB8 2504/4885ALDH1A1 336/4885IDO1 858/4885

“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.