SCHEMBL3522871

SCHEMBL3522871

CC(C)N1C(=O)NC(c2ccc3c(c2)OCCO3)c2cc3c(cc21)OCO3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL3525026 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL3527482 0.96 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL3522879 0.96 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL3522822 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL3522132 0.88 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL3522860 0.86 GSK3B (0.44) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL11872481 0.86 MAPT (0.45) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL11784090 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL11785549 0.85 MGLL (0.44) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL11487326 0.84 SMN1; SMN2 (0.40) ALDH1A1TSHRSMN1; SMN2LMNANPSR1

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 ALDH1A1 1819/4885L3MBTL1 465/4885TSHR 1379/4885

“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.