SCHEMBL3519624

SCHEMBL3519624

O=C(CC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
PKM P14618 3/20 0.70
KDM4E B2RXH2 1/20 0.69
TP53 P04637 1/20 0.64
CTNNB1 P35222 1/20 0.63
WNT3A P56704 1/20 0.63
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NFKB1 P19838 1/20 0.58
MAOB P27338 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTGS2 P35354 1/20 0.56

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
SCHEMBL8961590 0.84 CTNNB1 (0.82) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL11238457 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL29458253 0.82 MEN1 (0.76) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL2237626 0.82 MEN1 (0.76) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL5381632 0.81 MEN1 (0.69) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL14901035 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL11572863 0.78 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL15969410 0.78 CTNNB1 (1.00) PKMCTNNB1WNT3AALDH1A1MAPK1
SCHEMBL11695764 0.77 RAB9A (0.76) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL1516344 0.77 NPC1 (0.83) RAB9ANPC1SMN1; SMN2PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed
US-20040162299-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE, S.A. 2004-08-19 US disclosed
US-6765006-B2 ANTAGONISTS OF AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID (AMPA) IONOTROPIC RECEPTORS; NEURODEGENERATIVE, ALZHEIMER'S, AND HUNTINGTON'S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS; SCHIZOPHRENIA, EXCITATORY AMINO ACID DEFICIENCY EURO-CELTIQUE S.A. (LU) 2004-07-20 US disclosed
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP disclosed
US-20030033089-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE S.A. 2003-02-13 US disclosed
US-6465472-B1 SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION EURO-CELTIQUE S.A. (LU) 2002-10-15 US disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO 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 (1 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-20040162299-A1 Substituted quinazolines and analogs and the use thereof CHRNA7, CHRNA2, CHRNA10 RAB9A 695/4885NPC1 2557/4885SMN1; SMN2 78/4885

“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.