SCHEMBL4989864

SCHEMBL4989864

CC(=O)N1C(=O)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 1.00
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.55
CASP1 P29466 1/20 0.55
BRCA1 P38398 1/20 0.55
TTR P02766 1/20 0.55
CTRB1 P17538 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NOTUM Q6P988 2/20 0.49
BCHE P06276 2/20 0.48
TGM2 P21980 1/20 0.48
GAA P10253 2/20 0.47
NOX1 Q9Y5S8 1/20 0.47
CES2 O00748 1/20 0.47

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
SCHEMBL30070852 1.00 CES1 (1.00) CES1ALDH1A1MAPTMEN1KMT2A
Nitrogen SCHEMBL27935041 0.95 CES1 (0.90) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9917546 0.86 CES1 (0.76) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL19747937 0.86 CES1 (0.76) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9917537 0.86 CES1 (0.76) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9236314 0.84 CES1 (0.72) CES1ALDH1A1MEN1KMT2ATTR
SCHEMBL27686651 0.84 CES1 (0.72) CES1ALDH1A1MEN1KMT2ATTR
SCHEMBL5739235 0.82 CES1 (0.70) CES1ALDH1A1TTRCTRB1BCHE
SCHEMBL25707024 0.82 CES1 (0.70) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31107464 0.81 CES1 (0.69) CES1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10065927-B2 α-ketoacylic isoniazid compounds, process for producing said compounds, use of the compounds in the treatment of tuberculosis Fundacão Oswaldo Cruz (FIOCRUZ) (BR) 2018-09-04 US claimed
CN-103554117-B A kind of preparation method of chiral spiro naphthoquinone benzopyran hydroxyindole compound ZHANGJIAGANG INSTITUTE OF INDUSTRIAL TECHNOLOGIES SOOCHOW UNIVERSITY (CN) 2015-09-23 CN claimed
CN-103554117-A Preparation method of chiral spiro naphthoquinone benzopyran hydroxyindole compound ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2014-02-05 CN claimed
CN-118459390-B 3-Hydroxy oxindole derivative containing Z-type 1, 4-dicarbonyl olefin, and preparation method and application thereof SUN YAT-SEN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-118459390-A 3-Hydroxy oxindole derivative containing Z-type 1, 4-dicarbonyl olefin, and preparation method and application thereof 中山大学 2024-08-09 CN disclosed
WO-2023219456-A1 QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2023-11-16 WO disclosed
WO-2023219456-A1 QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2023-11-16 WO disclosed
US-20230183391-A1 BIOMASS DERIVED DIKETONES AS EFFICIENT VISIBLE LIGHT PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed
US-20230183391-A1 BIOMASS DERIVED DIKETONES AS EFFICIENT VISIBLE LIGHT PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed
US-20230183391-A1 BIOMASS DERIVED DIKETONES AS EFFICIENT VISIBLE LIGHT PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed
CN-108101842-B Preparation method of 2-hydroxy-4-carboxyquinoline 山东诚汇双达药业有限公司 2021-04-30 CN disclosed
WO-2007084625-A9 NOVEL COMPOUNDS AND METHODS FOR INHIBITING P53 ACTIVITY SINAI SCHOOL MEDICINE (US) 2007-09-13 WO disclosed
WO-2007084625-A2 NOVEL COMPOUNDS AND METHODS FOR INHIBITING P53 ACTIVITY MOUNT SINAI SCHOOL OF MEDICINE (US) 2007-07-26 WO disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed
EP-0123146-B1 COMPOUND WITH ANTIINFLAMMATORY ACTIVITY, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM CHIESI FARMACEUTICI S.p.A. (IT) 1990-05-23 EP disclosed
US-4839366-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC CHIESI FARMACEUTICI S.P.A. (IT) 1989-06-13 US disclosed
US-4767698-A PHOTOSTABILITY, HEAT RESISTANCE AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0123146-A2 Compound with antiinflammatory activity, process for preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1984-10-31 EP 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-10065927-B2 α-ketoacylic isoniazid compounds, process for producing said compounds, use of the compounds in the treatment of tuberculosis HMGCR, IDH3A, COASY CES1 411/4885ALDH1A1 512/4885MAPT 2810/4885

“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.