SCHEMBL9942844

SCHEMBL9942844

COCc1cc(C(=O)OC)c(N)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.63
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
ABL1 P00519 1/20 0.41
NOTUM Q6P988 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4627735 0.86 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL9942839 0.81 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4628796 0.80 CFTR (0.56) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4627860 0.79 CFTR (0.55) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL22833377 0.79 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2475128 0.79 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL23040878 0.78 CFTR (0.68) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2387625 0.78 CFTR (1.00) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL3533161 0.78 CFTR (0.68) CFTRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31603104 0.78 CFTR (0.68) CFTRKDM4EALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-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

“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.