SCHEMBL3522801

SCHEMBL3522801

c1cc2c(cc1-c1nc(OCCN3CCCC3)nc3cc4c(cc13)OCO4)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TDP1 Q9NUW8 3/20 0.44
ESR1 P03372 2/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR2 Q92731 1/20 0.42
ACHE P22303 1/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RET P07949 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3523406 0.83 PARP1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTRET
SCHEMBL6999757 0.81 ALOX5 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3522377 0.81 TDP1 (0.43) TDP1ALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL3522794 0.79 ACP1 (0.36) KCNH2HRH3CYP1A2CYP3A4CYP2D6
SCHEMBL3522991 0.79 TDP1 (0.45) TDP1ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL3523428 0.78 TDP1 (0.41) TDP1ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL3521426 0.78 PDE4A (0.41) RETCLK4
SCHEMBL3527472 0.77 LMNA (0.48) TDP1ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL3523725 0.73 ACP1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3523516 0.73 KDM4E (0.49) KCNH2HRH3ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162299-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE, S.A. 2004-08-19 US claimed
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 claimed
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP claimed
US-20030033089-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE S.A. 2003-02-13 US claimed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP claimed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO claimed
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 KCNH2 701/4885HRH3 933/4885TDP1 1085/4885

“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.