SCHEMBL9942839

SCHEMBL9942839

COC(=O)c1cc(COC2CCCCO2)c(C(F)(F)F)cc1N

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.60
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
CREBBP Q92793 2/20 0.35
EP300 Q09472 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RBP4 P02753 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL2391555 0.88 CFTR (0.56) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2388834 0.81 CFTR (0.55) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL9942844 0.81 CFTR (0.63) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL5558536 0.80 CFTR (0.40) CFTRICAM1SELECREBBPEP300
SCHEMBL12021426 0.76 CFTR (0.44) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2389085 0.75 CFTR (1.00) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL22071054 0.74 MRGPRX4 (0.45) CFTRKDM4EALDH1A1HPGDCREBBP
SCHEMBL10308258 0.73 ICAM1 (0.41) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL2526406 0.73 CREBBP (0.48) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL12021229 0.71 CFTR (0.43) CFTRKDM4EALDH1A1HPGDGAA

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.