SCHEMBL3753188

SCHEMBL3753188

CC1(C)COC(c2ccc(Cl)cc2C=O)=N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ERN1 O75460 1/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3752197 0.83 ATM (0.44) KDM4EHTTLMNAMAPTATM
SCHEMBL711918 0.81 KDM4E (0.39) KDM4EHTTLMNAMAPTATM
SCHEMBL6587304 0.81 ERN1 (0.43) KDM4EHPGDHTTLMNAMAPT
SCHEMBL7831700 0.80 KDM4E (0.45) KDM4EHPGDHTTLMNAMAPT
SCHEMBL498998 0.78 KDM4E (0.44) KDM4EHPGDHTTLMNAMAPT
SCHEMBL6698426 0.76 KDM4E (0.42) KDM4EHPGDHTTLMNAMAPT
SCHEMBL655887 0.75 HPGD (0.46) KDM4EHPGDHTTLMNAMAPT
SCHEMBL8560175 0.74 HTT (0.41) KDM4EHPGDHTTLMNAMAPT
SCHEMBL9463701 0.74 KDM4E (0.40) KDM4EHPGDHTTLMNAMAPT
SCHEMBL9016431 0.74 KDM4E (0.43) KDM4EHPGDHTTLMNAMAPT

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 13 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
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
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-5264436-A Alpha-adrenoceptors antagonist, hypotensive agents or antidiabetic agents BEECHAM GROUP P.L.C. (GB) 1993-11-23 US 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
EP-0275639-A1 N-substituted cyclic amides, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-07-27 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 XDH 3256/4885KDM4E 2117/4885HPGD 1805/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 XDH 661/4885KDM4E 4057/4885HPGD 2802/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 XDH 636/4885KDM4E 4100/4885HPGD 592/4885

“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.