SCHEMBL7074504

SCHEMBL7074504

CC(C)CCC(=O)ONC(=O)c1ccc2nc(C(C)c3nc4cc(-n5ccnc5)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 3/20 0.32
NR1H4 Q96RI1 5/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7074547 0.88 HTT (0.40) F9HTTBRD4
SCHEMBL7067809 0.85 F9 (0.38) F9HTTBRD4TDP1
SCHEMBL7069807 0.84 HPGD (0.40) F9HTTTDP1
SCHEMBL7073168 0.81 NPC1 (0.41) F9NR1H4
SCHEMBL7072267 0.80 F9 (0.37) F9BRD4
SCHEMBL7068233 0.79 DRD2 (0.43)
SCHEMBL7072273 0.78 ADRB2 (0.40) F9
SCHEMBL7070332 0.78 DRD2 (0.38) F9
SCHEMBL7068172 0.77 ACSS2 (0.41) F9TDP1
SCHEMBL7072628 0.77 ADRB2 (0.37) F9BRD4NR1H4

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
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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 PLG 286/4885F9 2202/4885F10 1801/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 PLG 613/4885F9 3853/4885F10 3661/4885

“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.