SCHEMBL5207993

SCHEMBL5207993

Cc1ccc(NC(=O)c2cnc(N3CCCNCC3)cn2)c(C(=O)Nc2ccc(F)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.54
HDAC2 Q92769 8/20 0.54
F10 P00742 9/20 0.48
HDAC1 Q13547 1/20 0.46
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5239546 0.93 F10 (0.51) HDAC3HDAC2F10HDAC1
SCHEMBL5204195 0.91 F10 (0.58) HDAC3HDAC2F10HDAC1
SCHEMBL14394839 0.91 F10 (0.58) HDAC3HDAC2F10KCNH2
SCHEMBL5205288 0.88 F10 (0.58) HDAC3HDAC2F10KCNH2
SCHEMBL5201736 0.88 F10 (0.58) HDAC3HDAC2F10HDAC1
SCHEMBL5208089 0.88 F10 (0.53) HDAC3HDAC2F10HDAC1
SCHEMBL5204155 0.85 F10 (0.54) F10KCNH2
SCHEMBL6949865 0.84 F10 (0.47) HDAC3HDAC2F10KCNH2
SCHEMBL4850116 0.84 F10 (0.56) HDAC3HDAC2F10HDAC1
SCHEMBL5204077 0.84 F10 (0.66) F10KCNH2

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
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20040097491-A1 Substituted heterocyclic amides HERRON DAVID KENT (US) 2004-05-20 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-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 HDAC3 149/4885HDAC2 256/4885F10 11/4885

“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.