SCHEMBL3750225

SCHEMBL3750225

CC1(C)COC(c2cccc(F)c2)=N1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 3/20 0.51
IL2 P60568 1/20 0.46
ATM Q13315 1/20 0.45
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ROCK1 Q13464 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL471881 0.88 KDM4E (0.62) KDM4ELMNAMAPTHTTHRH3
SCHEMBL20410843 0.85 KDM4E (0.59) KDM4ELMNAMAPTHTTHRH3
SCHEMBL30863841 0.82 KDM4E (0.56) KDM4ELMNAMAPTHTTHRH3
SCHEMBL1338857 0.82 KDM4E (0.56) KDM4ELMNAMAPTHTTHRH3
SCHEMBL1624547 0.81 KDM4E (0.54) KDM4ELMNAMAPTHTTHRH3
SCHEMBL8491691 0.81 HPGD (0.55) KDM4ELMNAMAPTHTTHRH3
SCHEMBL20410735 0.81 KDM4E (0.54) KDM4ELMNAMAPTHTTHRH3
SCHEMBL20410959 0.81 KDM4E (0.58) KDM4ELMNAMAPTHTTHRH3
SCHEMBL4748328 0.81 KDM4E (0.54) KDM4ELMNAMAPTHTTHRH3
SCHEMBL1621903 0.80 KDM4E (0.50) KDM4ELMNAMAPTHTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-0427160-B1 Benzylselenobenzamides of aminopyridines and picolylamines NATTERMANN A & CIE (DE) 1995-04-05 EP disclosed
EP-0427125-B1 Benzylseleno-benzamides of anilines and benzylamines NATTERMANN A & CIE (DE) 1994-07-13 EP disclosed
EP-0510947-A1 N-Hydroxy (thio)ureas as 5-lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 1992-10-28 EP disclosed
US-5141955-A ANTI-INFLAMMATORY BENZYLSELENOBENZAMIDES MADE FROM ANILINES AND BENZYLAMINES A. NATTERMANN & CIE. GMBH (DE) 1992-08-25 US disclosed
US-5130485-A For treatment of asthma, arthritis, allergy, inflammatory bowel disease, psoriasis, respiratory system disorders and antiischemic agents ELI LILLY AND COMPANY (US) 1992-07-14 US disclosed
US-5114954-A ANTIINFLAMMATORY BENZYLSELENOBENZAMIDES FROM AMINOPYRIDINES AND PICOLYLAMINES A. NATTERMANN & CIE. GMBH (DE) 1992-05-19 US disclosed
EP-0427160-A1 Benzylselenobenzamides of aminopyridines and picolylamines A. Nattermann & Cie. GmbH (DE) 1991-05-15 EP disclosed
EP-0427125-A1 Benzylseleno-benzamides of anilines and benzylamines A. Nattermann & Cie. GmbH (DE) 1991-05-15 EP disclosed
US-4647565-A 2-(2-quinazolinylaminoalkoxymethyl)-1,4-dihydropyridine derivatives as cardiovascular agents PFIZER INC. (US) 1987-03-03 US disclosed
EP-0168151-A1 Dihydropyridine cardiovascular agents Pfizer Limited (GB) 1986-01-15 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 (2 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KDM4E 4057/4885LMNA 228/4885MAPT 4504/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KDM4E 4100/4885LMNA 461/4885MAPT 4244/4885

“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.