SCHEMBL5204047

SCHEMBL5204047

Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2cnc(N3CCCN(C)CC3)cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.56
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
F2 P00734 1/20 0.44
F9 P00740 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
F7 P08709 1/20 0.44
PRSS3 P35030 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5208105 0.94 F10 (0.65) F10F2
SCHEMBL5205350 0.94 F10 (0.65) F10F2
SCHEMBL5208089 0.93 F10 (0.53) F10HDAC3HDAC1HDAC2TMEM97
SCHEMBL5201703 0.89 F10 (0.56) F10F2F9PRSS1PRSS2
SCHEMBL5205121 0.88 F10 (0.64) F10HDAC3HDAC2
SCHEMBL5205058 0.88 F10 (0.73) F10F2
SCHEMBL5239546 0.87 F10 (0.51) F10HDAC3HDAC1HDAC2
SCHEMBL5207668 0.85 MAPT (0.48) F10
SCHEMBL5207752 0.84 F10 (0.64) F10F2
SCHEMBL6949865 0.84 F10 (0.47) F10HDAC3HDAC2

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 5 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
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 F10 11/4885HDAC3 149/4885HDAC1 71/4885

“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.