SCHEMBL9942841

SCHEMBL9942841

C=C(OCC)c1ccc(C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
USP10 Q14694 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 2/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTGER4 P35408 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
VCAM1 P19320 1/20 0.49
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL18703780 0.82 KDM4E (0.48) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL559830 0.82 VCAM1 (0.64) KMT2AALDH1A1MAPTPKMLMNA
SCHEMBL30525281 0.82 VCAM1 (0.64) KMT2AALDH1A1MAPTPKMLMNA
SCHEMBL6422578 0.81 KMT2A (0.65) KMT2AUSP10ALDH1A1MAPTRAB9A
Methane SCHEMBL27578247 0.81 VCAM1 (0.62) KMT2AALDH1A1MAPTPKMLMNA
SCHEMBL161836 0.79 CASP6 (0.60) KMT2AALDH1A1MAPTLMNAVCAM1
SCHEMBL2388784 0.79 VCAM1 (0.54) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL16960905 0.79 VCAM1 (0.54) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL12933644 0.79 LMNA (0.55) KMT2AALDH1A1MAPTRAB9APKM
SCHEMBL25200200 0.79 KDM4E (0.45) KMT2AALDH1A1MAPTNPC1LMNA

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 12 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-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
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 KMT2A 1922/4885USP10 4293/4885ALDH1A1 115/4885
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES CYP3A7, CYP1A2, UGT1A7 KMT2A 1186/4885USP10 2052/4885ALDH1A1 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 KMT2A 1588/4885USP10 4187/4885ALDH1A1 804/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 KMT2A 1922/4885USP10 4293/4885ALDH1A1 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.