SCHEMBL95119

SCHEMBL95119

O=[C]c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
PDE10A Q9Y233 1/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.43
GPR3 P46089 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 5/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL3531494 0.82 NQO2 (0.45) ALDH1A1MAPTKDM4EGPR3PDGFRB
SCHEMBL31526085 0.78 PDE10A (0.47) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL6352308 0.78 PDE10A (0.47) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL6008088 0.78 PDE10A (0.47) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL1999094 0.78 MAPT (0.53) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL2747071 0.78 PDE10A (0.47) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL5845182 0.78 PDE10A (0.47) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL193429 0.76 ALDH1A1 (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6847792 0.75 PDE10A (0.44) ALDH1A1HPGDHSD17B10ALOX15PDE10A
SCHEMBL2008467 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10ALOX15PDE10AMAPT

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 842 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
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
CN-111333671-A Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2020-06-26 CN claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
WO-2015109451-A1 SYNTHESIS OF COMPOUNDS CONTAINING 8-OXA-3-AZABICYCLO (3.2.1)OCTANE RING RHODIA OPERATIONS (FR) 2015-07-30 WO claimed
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US claimed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP claimed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP claimed
US-5430041-A Amino acid derivatives having antiviral activity HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US claimed
US-5322842-A Tricyclic benzodiazepine derivates, their preparation, and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-21 US claimed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP claimed
US-5292737-A Inhibit protein kinase activity; antiinflammatory/antitumor agents; treatment for cardiovascular disorders SPHINX PHARMACEUTICALS CORPORATION (US) 1994-03-08 US claimed
EP-0544909-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP claimed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP claimed
EP-0083765-A2 Reactive dyes BASF Aktiengesellschaft (DE) 1983-07-20 EP claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 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 (3 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 ALDH1A1 4859/4885HPGD 2325/4885HSD17B10 4233/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B ALDH1A1 3283/4885HPGD 3541/4885HSD17B10 3806/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD ALDH1A1 4859/4885HPGD 2325/4885HSD17B10 4233/4885

“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.