SCHEMBL5358787

SCHEMBL5358787

CC(=O)c1ccc2c(c1)Sc1cc(C(C)=O)ccc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NOX1 Q9Y5S8 3/20 0.46
MEN1 O00255 1/20 0.46
CYBB P04839 1/20 0.46
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
SNCA P37840 1/20 0.46
KMT2A Q03164 1/20 0.46
NOX3 Q9HBY0 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP2A6 P11509 1/20 0.39
PKM P14618 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
SCHEMBL14468403 0.92 CYP2A6 (0.49) MAPTNOX1MEN1CYBBAPP
SCHEMBL9778322 0.92 NOX1 (0.51) MAPTNOX1MEN1CYBBAPP
SCHEMBL9778273 0.90 NOX1 (0.40) MAPTNOX1MEN1CYBBAPP
SCHEMBL11552722 0.87 MAOA (0.47) MAPTNOX1MEN1CYBBAPP
SCHEMBL14446398 0.87 MAPT (0.38) MAPTNOX1MEN1CYBBAPP
SCHEMBL9778282 0.86 MAPT (0.42) MAPTNOX1MEN1CYBBAPP
SCHEMBL10513235 0.81 NOX1 (0.55) MAPTNOX1MEN1CYBBAPP
SCHEMBL17559571 0.80 GAA (0.49) MAPTNOX1MEN1CYBBAPP
SCHEMBL1003629 0.79 MAPT (0.56) MAPTNOX1MEN1CYBBAPP
SCHEMBL9511380 0.79 MAPT (0.56) MAPTNOX1MEN1CYBBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173132-B2 Certain substituted 1-aryl-3-piperazine-1′-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2007-02-06 US disclosed
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 US disclosed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 US disclosed
US-6214994-B1 TREATMENT OF NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS, AND PREVENTING OR DECREASING PRODUCTION OF PHOSPHORYLATED PAIRED HELICAL FILAMENT (PHF) EPITOPES ASSOCIATED WITH ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION 2001-04-10 US disclosed
US-6075026-A Certain substituted 1-aryl-3-piperazin-1'-yl propanones MOLECULAR GERIATRICS, CORP. (US) 2000-06-13 US disclosed
US-5693804-A USEFUL IN TREATING NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS AND ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION (US) 1997-12-02 US disclosed
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 EP disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 US disclosed
WO-1996015792-A9 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES 1996-09-12 WO disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO disclosed
WO-1996015792-A1 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO disclosed
US-4177257-A ANTIANAPHYLACTIC AGENTS BURROUGHS WELLCOME CO. (US) 1979-12-04 US disclosed
US-4158059-A Tension reducing 2,3,4,4a,9,136-hexahydro-dibenz[1,2;5,6]cyclohepta[3,4-c]py AKZONA INCORPORATED (US) 1979-06-12 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 (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-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP MAPT 19/4885NOX1 1321/4885MEN1 1720/4885

“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.