SCHEMBL9942870

SCHEMBL9942870

CCCCOn1nccc1-c1cc(C(=O)OC)c(N)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.52
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 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
SCHEMBL2387696 0.84 CFTR (0.53) CFTRKDM4EALDH1A1HPGDMBOAT4
SCHEMBL2597334 0.82 CFTR (0.57) CFTRKDM4EALDH1A1HPGDMBOAT4
SCHEMBL2390430 0.80 CFTR (0.60) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2388568 0.79 CFTR (0.54) CFTRKDM4EALDH1A1HPGDMBOAT4
SCHEMBL2389202 0.78 CFTR (0.57) CFTRKDM4EALDH1A1HPGDMBOAT4
SCHEMBL2390179 0.73 CFTR (0.51) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2389212 0.73 CFTR (0.60) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2389272 0.71 CFTR (0.48) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2390646 0.70 CFTR (0.57) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2388430 0.70 CFTR (0.55) CFTRKDM4EALDH1A1HPGDMBOAT4

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 CFTR 1584/4885KDM4E 1242/4885ALDH1A1 115/4885
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES CYP3A7, CYP1A2, UGT1A7 CFTR 1356/4885KDM4E 821/4885ALDH1A1 143/4885
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 CFTR 1840/4885KDM4E 2255/4885ALDH1A1 804/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 CFTR 1584/4885KDM4E 1242/4885ALDH1A1 115/4885

“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.