SCHEMBL13749488

SCHEMBL13749488

O=C(CC1Sc2ccccc2N(CC2CCC2)C1=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 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
SCHEMBL13749900 0.97 SMN1; SMN2 (0.54) TSHRL3MBTL1SMN1; SMN2
SCHEMBL13749626 0.95 TSHR (0.50) TSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL13749554 0.86 SMN1; SMN2 (0.53) TSHRL3MBTL1SMN1; SMN2
SCHEMBL13749642 0.83 TSHR (0.48) TSHRL3MBTL1SMN1; SMN2
SCHEMBL13749484 0.80 SMN1; SMN2 (0.52) TSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL13749480 0.80 SMN1; SMN2 (0.47) TSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL13750042 0.80 POLB (0.54) SMN1; SMN2
SCHEMBL13749632 0.80 MEN1 (0.57) TSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL13749636 0.78 HDAC6 (0.48) TSHRL3MBTL1SMN1; SMN2
SCHEMBL13749871 0.78 TSHR (0.44) TSHRL3MBTL1SMN1; SMN2MAPK1

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 TSHR 4499/4885L3MBTL1 2695/4885SMN1; SMN2 2458/4885

“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.