SCHEMBL4209337

SCHEMBL4209337

COC(=O)c1cncc(OC(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP2A6 P11509 1/20 0.44
GRM5 P41594 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ULK1 O75385 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL21257515 0.87 CA12 (0.47) ATMCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL17781534 0.85 ATM (0.56) ATMCYP11B1CYP11B2ALDH1A1CYP2A6
SCHEMBL12923699 0.83 KMT2A (0.55) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL1439962 0.82 ATM (0.65) ATMCYP11B1CYP11B2ALDH1A1CYP2A6
SCHEMBL25002911 0.82 CYP11B1 (0.64) ATMCYP11B1CYP11B2ALDH1A1CYP2A6
SCHEMBL25099190 0.82 MKNK1 (0.55) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL12923938 0.82 MKNK1 (0.53) ALDH1A1LMNATP53MAPK1CHRNB2
SCHEMBL12896059 0.81 PARP10 (0.56) CYP11B1CYP11B2SIRT2SIRT1SIRT3
SCHEMBL13326244 0.81 ATM (0.62) ATMCYP11B1CYP11B2ALDH1A1CYP2A6
SCHEMBL1107694 0.80 CA1 (0.50) ALDH1A1LMNAULK1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
EP-3189041-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2017-07-12 EP disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
EP-1871739-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-01-02 EP disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 US disclosed
WO-2006110668-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-10-19 WO 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 (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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 ATM 4434/4885CYP11B1 605/4885CYP11B2 721/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 ATM 4434/4885CYP11B1 605/4885CYP11B2 721/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ATM 3091/4885CYP11B1 546/4885CYP11B2 713/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 ATM 1351/4885CYP11B1 1689/4885CYP11B2 1737/4885
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP ATM 3727/4885CYP11B1 3806/4885CYP11B2 4051/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP ATM 3871/4885CYP11B1 3116/4885CYP11B2 3500/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 ATM 4434/4885CYP11B1 605/4885CYP11B2 721/4885

“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.