SCHEMBL3869248

SCHEMBL3869248

CC[C@H](NC(=O)[CH]CC(F)(F)C(N)=O)C(=O)c1nc(-c2ccccc2)no1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL3870366 0.83 HDAC6 (0.42) HDAC4KDM4EHDAC6PKMKMT2A
SCHEMBL3871946 0.80
SCHEMBL3877756 0.80 CTSS (0.47)
SCHEMBL3869252 0.77 KDM4E (0.41) HDAC4KDM4EGAALMNATSHR
SCHEMBL3876864 0.76 TPH1 (0.36) HDAC4HDAC6KMT2AHDAC1HDAC8
SCHEMBL3870031 0.76 TPH1 (0.36) HDAC4HDAC6KMT2AHDAC1HDAC8
SCHEMBL14427067 0.74 POLB (0.44) KDM4EGAALMNAPOLB
SCHEMBL14378284 0.74 POLB (0.44) KDM4EGAALMNAPOLB
SCHEMBL3870025 0.73 PDK1 (0.33) KMT2A
SCHEMBL6288672 0.72 HDAC4 (0.34) HDAC4KDM4EGAAHDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK HDAC4 925/4885KDM4E 3669/4885GAA 20/4885

“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.