SCHEMBL498998

SCHEMBL498998

CC1(C)COC(c2ccc(Cl)cc2I)=N1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.40
ATM Q13315 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7831700 0.83 KDM4E (0.45) KDM4EHPGDHTTATMALDH1A1
SCHEMBL6698426 0.79 KDM4E (0.42) KDM4EHPGDHTTATMALDH1A1
SCHEMBL655887 0.79 HPGD (0.46) KDM4EHPGDHTTATMALDH1A1
SCHEMBL3753188 0.78 XDH (0.44) KDM4EHPGDHTTATMALDH1A1
SCHEMBL9463701 0.77 KDM4E (0.40) KDM4EHPGDHTTATMALDH1A1
SCHEMBL8560175 0.77 HTT (0.41) KDM4EHPGDHTTATMALDH1A1
SCHEMBL9016431 0.77 KDM4E (0.43) KDM4EHPGDHTTATMALDH1A1
SCHEMBL7483930 0.77 ALDH1A1 (0.43) KDM4EHPGDALDH1A1MAPT
SCHEMBL19379609 0.76 KDM4E (0.47) KDM4EHPGDHTTATMALDH1A1
SCHEMBL11080851 0.76 KDM4E (0.42) KDM4EHPGDHTTATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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 (1 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP KDM4E 2677/4885HPGD 579/4885HTT 1270/4885

“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.