SCHEMBL13749552

SCHEMBL13749552

O=C(CN1C(=O)CCc2ccccc21)NO

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
TP53 P04637 3/20 0.63
POLB P06746 4/20 0.62
THRB P10828 2/20 0.62
LMNA P02545 1/20 0.60
MAPK10 P53779 7/20 0.54
MAPK9 P45984 6/20 0.54
MAPK8 P45983 6/20 0.54
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL30808574 0.87 MAPT (0.62) MAPTTP53POLBTHRBLMNA
SCHEMBL29456062 0.83 POLB (0.64) MAPTTP53POLBTHRBLMNA
SCHEMBL933584 0.83 POLB (0.64) MAPTTP53POLBTHRBLMNA
SCHEMBL12661051 0.82 MAPT (0.63) MAPTTP53POLBTHRBLMNA
SCHEMBL3785481 0.81 POLB (0.58) MAPTTP53POLBTHRBLMNA
SCHEMBL5641249 0.81 MAPT (0.58) MAPTTP53POLBTHRBLMNA
SCHEMBL28067863 0.80 MAPT (0.60) MAPTTP53POLBTHRBLMNA
SCHEMBL3783132 0.79 MAPK10 (0.67) MAPTTP53POLBTHRBLMNA
SCHEMBL9801910 0.78 POLB (0.63) MAPTTP53POLBTHRBLMNA
SCHEMBL6656950 0.77 POLB (0.65) MAPTTP53POLBTHRB

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
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 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-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 MAPT 2216/4885TP53 4151/4885POLB 1327/4885

“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.