SCHEMBL7069834

SCHEMBL7069834

COc1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TPSAB1 Q15661 3/20 0.41
TPSD1 Q9BZJ3 3/20 0.41
TPSG1 Q9NRR2 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL7068181 0.94 TPSAB1 (0.41) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7070392 0.94 TPSAB1 (0.41) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7072012 0.93 TPSAB1 (0.40) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7074910 0.93 TPSAB1 (0.45) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7073363 0.92 L3MBTL1 (0.50) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7075729 0.92 HPGD (0.40) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL7072015 0.92 TPSAB1 (0.39) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7405580 0.91 TPSAB1 (0.40) NPC1HPGDTPSAB1TPSD1TPSG1
SCHEMBL7068373 0.91 TPSAB1 (0.39) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7119344 0.90 TPSAB1 (0.39) NPC1HPGDTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 PDE4A 1106/4885PDE4B 1453/4885PDE4C 1006/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 PDE4A 1396/4885PDE4B 1874/4885PDE4C 1951/4885

“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.