SCHEMBL320834

SCHEMBL320834

O=C(O)NCCNCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAOA P21397 1/20 0.55
KDM4E B2RXH2 3/20 0.54
CHRM2 P08172 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
ALDH1A1 P00352 3/20 0.51

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
Hydrochloric Acid SCHEMBL9732830 0.98 KMT2A (0.65) KMT2AMEN1TDP1CTDSP1CYP1A2
Bicarbonate SCHEMBL11577700 0.87 MEN1 (0.81) KMT2AMEN1TDP1CTDSP1MAOA
SCHEMBL6381611 0.85 KMT2A (0.63) KMT2AMEN1TDP1CTDSP1MAOA
Acetic Acid SCHEMBL4203427 0.83 MEN1 (0.74) KMT2AMEN1TDP1CTDSP1MAOA
Acetic Acid SCHEMBL8769245 0.83 MEN1 (0.74) KMT2AMEN1TDP1CTDSP1MAOA
SCHEMBL23607918 0.83 KDM4E (0.59) KMT2ACYP1A2CYP2C19KDM4ECHRM2
SCHEMBL11111266 0.83 GAA (0.62) KMT2AMEN1TDP1CTDSP1GAA
SCHEMBL5300637 0.83 ALDH1A1 (0.59) KMT2AMEN1CYP2C9CYP2C19CHRM2
SCHEMBL8851840 0.83 ALDH1A1 (0.64) KMT2AMEN1TDP1CTDSP1KDM4E
SCHEMBL23124836 0.83 L3MBTL1 (0.50) KMT2AMEN1TDP1CTDSP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370129-A1 CARNITINE-PALMITOYL-TRANSFERASE-1 (CPT-1) INHIBITORS FOR USE IN A METHOD OF PREVENTING OR TREATING SEPSIS IN A MAMMALIAN SUBJECT 2N Pharma ApS (DK) 2024-05-22 EP disclosed
EP-4334313-A1 DIAZEPANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND USES THEREOF FOR THE AMELIORATION, PREVENTION AND/OR TREATMENT OF MENTAL AND NEUROLOGICAL DISEASES 2N Pharma ApS (DK) 2024-03-13 EP disclosed
WO-2023285349-A1 CARNITINE-PALMITOYL-TRANSFERASE-1 (CPT-1) INHIBITORS FOR USE IN A METHOD OF PREVENTING OR TREATING SEPSIS IN A MAMMALIAN SUBJECT 2N PHARMA APS (DK) 2023-01-19 WO disclosed
US-20220387615-A1 COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF DANMARKS TEKNISKE UNIVERSITET (DK) 2022-12-08 US disclosed
EP-3990027-A1 COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF Danmarks Tekniske Universitet (DK) 2022-05-04 EP disclosed
WO-2020260597-A1 COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF DANMARKS TEKNISKE UNIVERSITET (DK) 2020-12-30 WO disclosed
CN-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT REDDY S LAB LIMTED DR (IN) 2016-06-16 US disclosed
EP-3021851-A2 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT Dr. Reddy's Laboratories Ltd. (IN) 2016-05-25 EP disclosed
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed
EP-0611163-B1 Polymeric biocidal composition and method for making same SOUTHWEST RES INST (US) 1999-10-20 EP disclosed
EP-0611163-A1 Polymeric biocidal composition and method for making same SOUTHWEST RESEARCH INSTITUTE (US) 1994-08-17 EP disclosed
US-5173510-A Anticholesterol agents AMERICAN CYANAMID COMPANY (US) 1992-12-22 US disclosed
US-5053426-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1991-10-01 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 (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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 KMT2A 4656/4885MEN1 4434/4885TDP1 4370/4885
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT KMO, HCRTR2, COMT KMT2A 163/4885MEN1 505/4885TDP1 4149/4885
US-20220387615-A1 COMPOSITIONS COMPRISING ENZYME CLEAVABLE LINKER PLATFORMS AND CONJUGATES THEREOF ADAM17, ADAM8, ADAM33 KMT2A 2529/4885MEN1 1111/4885TDP1 704/4885

“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.