SCHEMBL877774

SCHEMBL877774

O=Cc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)c5cn6c(n5)CCCC6)CC4)c(=O)c4cc(F)cnc43)c2)cc1.O=Cc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)c5cn6c(n5)CCCC6)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PDE4B Q07343 14/20 0.36
WDR5 P61964 1/20 0.34
ROCK1 Q13464 1/20 0.34
KCNH2 Q12809 2/20 0.33
CNR2 P34972 1/20 0.33
PDE4D Q08499 7/20 0.33
PDE4A P27815 6/20 0.32
PDE4C Q08493 6/20 0.32

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
SCHEMBL3029536 1.00 HDAC1 (0.39) HDAC1HDAC2PDE4BWDR5ROCK1
SCHEMBL3029537 1.00 HDAC1 (0.39) HDAC1HDAC2PDE4BWDR5ROCK1
SCHEMBL870919 0.90 PDE4B (0.44) HDAC1HDAC2PDE4BCNR2
SCHEMBL870918 0.90 PDE4B (0.44) HDAC1HDAC2PDE4BCNR2
SCHEMBL872679 0.89 PDE4B (0.38) HDAC1HDAC2PDE4BWDR5CNR2
SCHEMBL870877 0.89 PDE4B (0.38) HDAC1HDAC2PDE4BWDR5KCNH2
SCHEMBL871169 0.88 PDE4B (0.37) HDAC1HDAC2PDE4BWDR5CNR2
SCHEMBL3024938 0.88 PDE4B (0.37) HDAC1HDAC2PDE4BWDR5CNR2
SCHEMBL3032903 0.88 HDAC1 (0.40) HDAC1HDAC2PDE4BWDR5ROCK1
SCHEMBL871170 0.88 PDE4B (0.47) HDAC1HDAC2PDE4BROCK1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B HDAC1 596/4885HDAC2 899/4885PDE4B 2/4885

“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.