SCHEMBL1661310

SCHEMBL1661310

CCCCOC(C)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
DDR1 Q08345 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1663166 0.94 AR (0.36) ARDDR1CA12CA9
SCHEMBL957862 0.90 AR (0.38) ARDDR1CA12CA9KDM4E
SCHEMBL1661447 0.87 AR (0.35) ARDDR1CA12CA9ALDH1A1
SCHEMBL15184732 0.86 CA12 (0.35) ARDDR1CA12CA9
SCHEMBL9942836 0.86 AR (0.36) ARDDR1SMN1; SMN2CA12CA9
SCHEMBL1660919 0.85 CA12 (0.35) ARDDR1CA12CA9KDM4E
SCHEMBL958028 0.84 DDR1 (0.35) ARDDR1CA12CA9
SCHEMBL12180408 0.83 KDM4E (0.36) ARDDR1KDM4EALDH1A1HSD17B10
SCHEMBL1661057 0.81 AR (0.36) ARDDR1CA12CA9
SCHEMBL2389752 0.81 CA12 (0.39) ARDDR1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones JOHNS DONALD (US) 2014-06-12 US claimed
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones ALLGEIER HANS (DE) 2014-01-16 US claimed
US-20130096145-A1 Use of 1H-quinazoline-2,4-diones NOVARTIS AG (CH) 2013-04-18 US claimed
US-20130090346-A1 Use of 1H-quinazoline-2,4-diones NOVARTIS AG (CH) 2013-04-11 US claimed
WO-2013036224-A1 USE OF 1H-QUINAZOLINE- 2, 4 -DIONES FOR USE IN THE PREVENTION OR TREATMENT PHOTOSENSITIVE EPILEPSY NOVARTIS AG (CH) 2013-03-14 WO claimed
EP-2490691-A1 USE OF 1H-QUINAZOLINE-2,4-DIONES Novartis AG (CH) 2012-08-29 EP claimed
US-20120122903-A1 1-H-QUINAZOLINE-2, 4-DIONES FOR USE IN THE TREATMENT OF NEURONAL CEROID LIPOFUSCINOSIS NOVARTIS AG (CH) 2012-05-17 US claimed
WO-2011048150-A1 USE OF 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2011-04-28 WO claimed
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones JOHNS DONALD (US) 2014-06-12 US disclosed
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones JOHNS DONALD (US) 2014-06-12 US disclosed
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones ALLGEIER HANS (DE) 2014-01-16 US disclosed
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones ALLGEIER HANS (DE) 2014-01-16 US disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES NOVARTIS AG 2010-06-10 US disclosed
WO-2010046399-A1 COMBINATIONS FOR THE TREATMENT OF MIGRAINE NOVARTIS AG (CH) 2010-04-29 WO disclosed
US-7655666-B2 Substituted 1H-quinazoline-2,4-diones useful as AMPA receptor ligands NOVARTIS AG (CH) 2010-02-02 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
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 (8 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-20130090346-A1 Use of 1H-quinazoline-2,4-diones GRIK2, GRIK1, GRIK4 AR 4646/4885DDR1 1011/4885SMN1; SMN2 3697/4885
US-20130096145-A1 Use of 1H-quinazoline-2,4-diones GRM1, GRIK2, GRIK1 AR 4467/4885DDR1 2209/4885SMN1; SMN2 55/4885
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones GRIK1, GRIK2, GRIK4 AR 4495/4885DDR1 1095/4885SMN1; SMN2 1203/4885
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones GRIK2, GRIK1, GRIK4 AR 4646/4885DDR1 1011/4885SMN1; SMN2 3697/4885
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES CYP3A7, CYP1A2, UGT1A7 AR 3065/4885DDR1 2542/4885SMN1; SMN2 1852/4885
US-20120122903-A1 1-H-QUINAZOLINE-2, 4-DIONES FOR USE IN THE TREATMENT OF NEURONAL CEROID LIPOFUSCINOSIS CLN6, GBA1, GBA2 AR 4852/4885DDR1 2239/4885SMN1; SMN2 78/4885
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 AR 2441/4885DDR1 3161/4885SMN1; SMN2 2449/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 AR 3874/4885DDR1 2722/4885SMN1; SMN2 2470/4885

“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.