SCHEMBL134081

SCHEMBL134081

O=[C]OCc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
MAOB P27338 10/20 0.55
MAOA P21397 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL6382767 0.78 ENPP2 (0.50) TAAR1
SCHEMBL1767187 0.77 IDO1 (0.69) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL9256358 0.77 SOD1 (0.43) IDO1AGXT
SCHEMBL95133 0.77 IDO1 (0.58) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL5543288 0.77 IDO1 (0.58) IDO1MAOBMAOA
SCHEMBL1822739 0.77 IDO1 (0.58) IDO1MAOBMAOATAAR1MMP2
SCHEMBL5545771 0.77 MAOB (0.47) MAOBMAOATHRATHRB
SCHEMBL95565 0.77 CYP3A4 (0.58) IDO1AGXTMAOBMAOAHCAR2
SCHEMBL5540731 0.76 AGXT (0.59) AGXTMMP1MMP2MMP9MMP12
SCHEMBL8480 0.75 IDO1 (0.52) IDO1MAOBMAOATAAR1FFAR1

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 1213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788353-B1 CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2022-05-18 EP claimed
EP-2137139-B1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM (FR) 2014-09-10 EP claimed
US-8609882-B2 Process for deacetalisation of α aminoacetals CLARIANT SPECIALITY FINE CHEMICALS (FRANCE) (FR) 2013-12-17 US claimed
US-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-06-03 US claimed
CN-101679223-A Deacetalization of alpha aminoacetals CLARIANT SPECIALTY FINE CHEM 2010-03-24 CN claimed
EP-2137139-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS Clariant Specialty Fine Chemicals (France) (FR) 2009-12-30 EP claimed
WO-2008125486-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-10-23 WO claimed
US-7432389-B2 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US claimed
US-20060287306-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-21 US claimed
US-20060276642-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-07 US claimed
EP-1299352-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-04-09 EP claimed
US-20030013881-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-01-16 US claimed
EP-1265849-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2002-12-18 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US claimed
US-20020016320-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20060276642-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BCHE IDO1 3344/4885AGXT 433/4885MAOB 86/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP IDO1 1097/4885AGXT 147/4885MAOB 17/4885
US-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals ALDH7A1, AADAT, AASDHPPT IDO1 126/4885AGXT 114/4885MAOB 93/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP IDO1 2371/4885AGXT 197/4885MAOB 67/4885
US-20030013881-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BACE1 IDO1 1663/4885AGXT 288/4885MAOB 152/4885
US-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT IDO1 2174/4885AGXT 720/4885MAOB 20/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 IDO1 2347/4885AGXT 465/4885MAOB 223/4885

“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.