Sugi Predict

Sugi Predict / Compounds / SCHEMBL480361

SCHEMBL480361

SCHEMBL480361

Cn1cc([N+](=O)[O-])c(=O)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCR6 P51684 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL30367225 0.74 MAPT (0.41) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL30799052 0.73 ADORA2B (0.43) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL7366632 0.73 ADORA2B (0.43) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL28937872 0.71 ADORA1 (0.45) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL28937897 0.71 ADORA2B (0.48) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL7332717 0.69 MAPT (0.33) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL15804011 0.68 MAPT (0.55) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL2256402 0.68 MAPT (0.55) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL11480035 0.68 KDM4E (0.50) MAPTHTTKDM4ENPSR1LMNA
SCHEMBL29042327 0.68 MAPT (0.55) MAPTHTTKDM4ENPSR1LMNA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 — — EP disclosed
EP-3272754-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2018-01-24 — — EP disclosed
EP-3180342-A1 PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE DERIVATIVES Hydra Biosciences, Inc. (US) 2017-06-21 — — EP disclosed
EP-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 — — EP disclosed
WO-2016023831-A1 PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. (US) 2016-02-18 — — WO disclosed
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 — — EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 — — US disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 — — US disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 — — US disclosed
US-8815926-B2 Substituted pyrrolo[3,4-D]imidazoles for the treatment of MDM2/4 mediated diseases NOVARTIS AG (CH) 2014-08-26 — — US disclosed
US-20140011798-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-01-09 — — US disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 — — US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 — — US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 — — EP disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 — — WO disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 — — US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 — — US disclosed
EP-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 — — EP disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 — — US disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 — — 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 (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-20140011798-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 MAPT 368/4885HTT 230/4885KDM4E 1562/4885
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP MAPT 1146/4885HTT 1443/4885KDM4E 1939/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 MAPT 2007/4885HTT 1082/4885KDM4E 4677/4885
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 MAPT 368/4885HTT 230/4885KDM4E 1562/4885

“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.