SCHEMBL223563

SCHEMBL223563

O=[C]c1nc2ccccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.66
MAPT P10636 5/20 0.48
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 3/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HCRTR1 O43613 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 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
SCHEMBL10881236 0.83 PSMB8 (0.70) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL5968335 0.83 PSMB8 (0.70) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL3083786 0.81 PSMB8 (0.68) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL717589 0.79 PSMB8 (0.66) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL6960612 0.79 PSMB8 (0.66) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL548913 0.79 PSMB8 (1.00) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL105029 0.76 NPC1 (0.54) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL12469476 0.75 PSMB8 (0.59) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL11221096 0.74 NPC1 (0.52) PSMB8MAPTNPC1RAB9ATP53
SCHEMBL10670777 0.74 NPC1 (0.52) PSMB8MAPTNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
CN-115433203-A Amine fluorinated curcumenol derivative compound and application and preparation method thereof 华东理工大学 2022-12-06 CN claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-20180334440-A1 INHIBITORS OF ARGININE GINGIPAIN Cortexyme, Inc. (US) 2018-11-22 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3374352-A1 INHIBITORS OF ARGININE GINGIPAIN Cortexyme, Inc. (US) 2018-09-19 EP claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US claimed
WO-2017201322-A1 TREATMENT OF OSTEOARTHRITIS WITH GINGIPAIN BLOCKING AGENTS Cortexyme, Inc. (US) 2017-11-23 WO claimed
EP-3204352-A2 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-08-16 EP claimed
EP-2811997-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Eolas Therapeutics Inc. (US) 2014-12-17 EP claimed
WO-2013119639-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2013-08-15 WO claimed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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 (5 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD PSMB8 246/4885MAPT 4514/4885NPC1 2542/4885
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 PSMB8 3381/4885MAPT 4059/4885NPC1 3036/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD PSMB8 246/4885MAPT 4514/4885NPC1 2542/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PSMB8 571/4885MAPT 2065/4885NPC1 37/4885
US-20180334440-A1 INHIBITORS OF ARGININE GINGIPAIN ARGLU1, ENPEP, PRAP1 PSMB8 4385/4885MAPT 969/4885NPC1 2070/4885

“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.