SCHEMBL3762622

SCHEMBL3762622

CC1(C)COC(c2ccc(Cl)cc2)=N1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 2/20 0.42

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
SCHEMBL471858 0.90 KDM4E (0.60) KDM4EHTTLMNAMAPTHRH3
SCHEMBL11491135 0.84 KDM4E (0.47) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20409590 0.83 KDM4E (0.53) KDM4EHTTLMNAMAPTHRH3
SCHEMBL3942245 0.83 KDM4E (0.53) KDM4EHTTLMNAMAPTHRH3
SCHEMBL7489373 0.82 KDM4E (0.49) KDM4EHTTLMNAMAPTHRH3
SCHEMBL2088974 0.81 KDM4E (0.51) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20411007 0.81 HRH3 (0.54) KDM4EHTTLMNAMAPTHRH3
SCHEMBL4447566 0.81 KDM4E (0.51) KDM4EHTTLMNAMAPTHRH3
SCHEMBL1763999 0.81 KDM4E (0.51) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20410949 0.81 KDM4E (0.56) KDM4EHTTLMNAMAPTHRH3

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 22 patents — showing the first 20. 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
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO 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
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 US disclosed
EP-0984963-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
WO-1998054180-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO disclosed
EP-0275639-B1 N-SUBSTITUTED CYCLIC AMIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-07-15 EP disclosed
US-5077299-A Glaucoma, antidepressants, anticoagulants, hypotensive agents BEECHAM GROUP P.L.C. (GB) 1991-12-31 US disclosed
US-4918083-A 4,5 Dihydroimidazole compounds which have useful pharmaceutical utility BEECHAM GROUP P.L.C. (GB) 1990-04-17 US disclosed
US-4393062-A ALDOSE REDUCTASE INHIBITOR IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-12 US disclosed
EP-0002895-B1 ENZYME INHIBITORY PHTHALAZIN-4-YLACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 EP disclosed
US-4251528-A ALDOSE REDUCTASE INHIBITORS USEFUL IN DIABETES, GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-02-17 US disclosed
EP-0002895-A1 Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-07-11 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 (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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS KDM4E 2117/4885HTT 2827/4885LMNA 2147/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KDM4E 4057/4885HTT 3361/4885LMNA 228/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KDM4E 4100/4885HTT 3086/4885LMNA 461/4885

“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.