SCHEMBL2389294

SCHEMBL2389294

CCOC(=O)NN=C(C)c1cc(C(=O)OC)c(NC(C)=O)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 2/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 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
SCHEMBL2389292 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL2390292 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL2390289 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL2387665 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL4628772 0.80 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL2390059 0.78 CYP1A2 (0.40) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL2389464 0.78 CFTR (0.43) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL2390746 0.76 CYP1A2 (0.39) ALDH1A1SMN1; SMN2HPGDLMNAGALR2
SCHEMBL5165192 0.71 CFTR (0.52) ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C19
SCHEMBL2388410 0.71 CFTR (0.63) ALDH1A1SMN1; SMN2HPGDLMNAGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-8513268-B2 1H-quinazoline-2,4-diones processes for their production, pharmaceutical compositions, and treatment for epilepsy NOVARTIS AG (CH) 2013-08-20 US disclosed
EP-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 EP disclosed
US-20110294818-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG 2011-12-01 US disclosed
US-8012988-B2 N-(2,4-dioxo-6-(tetrahydrofuran-2-yl)-7-(trifluoromethyl)-1,4-dihydro-2H-quinazolin-3-yl)methanesulfonamide NOVARTIS AG (CH) 2011-09-06 US disclosed
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES NOVARTIS AG 2010-06-10 US disclosed
US-7655666-B2 Substituted 1H-quinazoline-2,4-diones useful as AMPA receptor ligands NOVARTIS AG (CH) 2010-02-02 US disclosed
US-20080153836-A1 N-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide derivatives; condensation, cyclization, reduction; AMPA (A-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonists; schizophrenia, bipolar disorders, Parkinson's Disease, antiepileptic agents; psychological disorders NOVARTIS AG (CH) 2008-06-26 US 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-20110294818-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 ALDH1A1 115/4885SMN1; SMN2 2470/4885HPGD 483/4885
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES CYP3A7, CYP1A2, UGT1A7 ALDH1A1 143/4885SMN1; SMN2 1852/4885HPGD 1301/4885
US-20080153836-A1 N-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide derivatives; condensation, cyclization, reduction; AMPA (A-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonists; schizophrenia, bipolar disorders, Parkinson's Disease, antiepileptic agents; psychological disorders GRIN2A, GRIN1, GRIN2D ALDH1A1 804/4885SMN1; SMN2 2449/4885HPGD 1346/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 ALDH1A1 115/4885SMN1; SMN2 2470/4885HPGD 483/4885

“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.