SCHEMBL3613488

SCHEMBL3613488

CCc1nn(CC(C)(C)O)c2cc(-c3ccnn3-c3ccccc3S(C)(=O)=O)ccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KHK P50053 3/20 0.33
ROCK1 Q13464 4/20 0.33
SLC22A12 Q96S37 5/20 0.32
NR3C2 P08235 2/20 0.32
MAPK14 Q16539 1/20 0.32
ROCK2 O75116 1/20 0.32
CREBBP Q92793 1/20 0.30

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
SCHEMBL3609488 0.85 KDM5A (0.39) KDM5AKDM4CKDM5BKHK
SCHEMBL3604982 0.72 PTGS2 (0.41) KDM5AKDM4CKDM5BKHKMAPK14
SCHEMBL3616251 0.71 ALDH1A1 (0.35) KDM5AKDM4CKDM5BALDH1A1LMNA
SCHEMBL3607017 0.69 PTGS2 (0.40) KDM5AKDM4CKDM5BKHK
SCHEMBL3607929 0.69 PTGS2 (0.38) KDM5AKDM4CKDM5BKHK
SCHEMBL3601173 0.69 PTGS2 (0.40) KDM5AKDM4CKDM5BKHK
SCHEMBL3602376 0.68 PTGS2 (0.41) KDM5AKDM4CKDM5BKHKMAPK14
SCHEMBL3609481 0.67 PTGS2 (0.44) KDM5AKDM4CKDM5BKHK
SCHEMBL3598570 0.67 KHK (0.43) KDM5AKDM4CKDM5BFFAR4KHK
SCHEMBL27721970 0.67 KDM5A (0.45) KDM5AKDM4CKDM5BKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US 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-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 KDM5A 622/4885KDM4C 294/4885KDM5B 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.