SCHEMBL7069797

SCHEMBL7069797

COc1ccccc1OCCNC(=O)c1ccc2nc(Cc3nc4cc(CNC(=N)N)ccc4[nH]3)n(CC(O)CO)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPK10 P53779 1/20 0.41
ACSS2 Q9NR19 2/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.35
F10 P00742 1/20 0.34

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
SCHEMBL7069137 0.95 TSHR (0.41) TSHRMAPK10ACSS2PDE4APDE4B
SCHEMBL7073153 0.91 TSHR (0.40) TSHRMAPK10ACSS2PDE4APDE4B
SCHEMBL7071962 0.90 TSHR (0.41) TSHRMAPK10ACSS2PDE4APDE4B
SCHEMBL7071978 0.80 PDE4A (0.39) TSHRMAPK10ACSS2PDE4APDE4B
SCHEMBL7072014 0.77 ACSS2 (0.39) TSHRACSS2KDM4EHPGDALDH1A1
SCHEMBL7072413 0.74 MAPT (0.43) TSHRMAPK10PDE4APDE4BPDE4C
SCHEMBL7072410 0.73 MAPT (0.43) TSHRMAPK10PDE4APDE4BPDE4C
SCHEMBL7069160 0.72 MAPT (0.44) TSHRMAPK10PDE4APDE4BPDE4C
SCHEMBL7071870 0.71 NPC1 (0.46) ACSS2NPC1RAB9AHPGDALDH1A1
SCHEMBL7072028 0.70 POLB (0.43) TSHRMAPK10NPC1RAB9AALDH1A1

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 TSHR 4233/4885MAPK10 3776/4885ACSS2 609/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TSHR 4214/4885MAPK10 4682/4885ACSS2 746/4885

“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.