SCHEMBL3519622

SCHEMBL3519622

CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCO2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.85
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
THRB P10828 2/20 0.63
POLB P06746 2/20 0.63
CYP2C19 P33261 2/20 0.63
ALDH1A1 P00352 8/20 0.60
NPSR1 Q6W5P4 4/20 0.60
GLA P06280 1/20 0.60
TP53 P04637 1/20 0.57
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 3/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 4/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TDP1 Q9NUW8 3/20 0.53

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
SCHEMBL3523524 0.92 CASP1 (1.00) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL11785020 0.87 TP53 (0.73) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL11580801 0.82 CYP1A2 (0.65) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL21450560 0.81 KDM4E (0.81) POLBCYP2C19ALDH1A1NPSR1KDM4E
SCHEMBL30884801 0.81 KDM4E (0.81) POLBCYP2C19ALDH1A1NPSR1KDM4E
SCHEMBL10999598 0.77 KDM4E (0.54) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL3523469 0.76 MAPT (0.61) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL3523479 0.76 CASP1 (0.61) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL6994833 0.76 CASP1 (0.51) CASP1CYP1A2CYP3A4CYP2C9THRB
SCHEMBL11856611 0.75 MAPT (0.55) CASP1CYP1A2CYP3A4CYP2C9THRB

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 CASP1 4356/4885CYP1A2 2688/4885CYP3A4 2023/4885

“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.