SCHEMBL4305085

SCHEMBL4305085

CCN(C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)nc21)c1nccs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PDE5A O76074 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PDE10A Q9Y233 9/20 0.32
PDE2A O00408 1/20 0.31
PDE4A P27815 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4308806 0.83 MTNR1A (0.39) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL4311454 0.79 PDE10A (0.36) PDE5APDE10A
SCHEMBL4312044 0.78 PDE10A (0.34) PDE5APDE10A
SCHEMBL4316031 0.77 PDE10A (0.37) PDE5APDE10APDE2APDE4APDE7A
SCHEMBL4312355 0.77 PDE10A (0.37) PDE10A
SCHEMBL4310149 0.76 PDE10A (0.34) LMNAPDE5APDE10A
SCHEMBL4308792 0.76 PDE10A (0.36) PDE5APDE10A
SCHEMBL13912908 0.76 KDM4E (0.42) ALDH1A1KDM4EMAPTKMT2APDE10A
SCHEMBL4310984 0.75 PDE10A (0.36) LMNAPDE5APDE10A
SCHEMBL4305133 0.75 PDE10A (0.36) LMNAPDE5APDE10APDE2APDE4A

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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 ALDH1A1 1707/4885KDM4E 1800/4885USP2 3523/4885

“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.