SCHEMBL7069828

SCHEMBL7069828

CC(=N)N1CCc2[nH]c(C(C)c3nc4ccc(C(=O)NCCOc5ccc(-c6nnn[nH]6)cc5)cc4n3C)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
NPC1 O15118 1/20 0.34
F10 P00742 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
RIPK2 O43353 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
CHEK2 O96017 3/20 0.31
PLG P00747 5/20 0.31
PDE2A O00408 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL7067705 0.93 F10 (0.36) TPSAB1TPSD1TPSG1NPC1F10
SCHEMBL7069756 0.89 TPSAB1 (0.34) TPSAB1TPSD1TPSG1NPC1NR1H4
SCHEMBL7072446 0.85 LMNA (0.41) TPSAB1TPSD1TPSG1NPC1
SCHEMBL7068659 0.82 NPC1 (0.36) TPSAB1TPSD1TPSG1NPC1F10
SCHEMBL7073159 0.82 TP53 (0.36) PLGPDE2A
SCHEMBL7069832 0.81 TPSAB1 (0.34) TPSAB1TPSD1TPSG1NPC1
SCHEMBL7071905 0.81 TPSAB1 (0.33) TPSAB1TPSD1TPSG1NPC1NR1H4
SCHEMBL7067706 0.80 TPSAB1 (0.34) TPSAB1TPSD1TPSG1NPC1
SCHEMBL7075194 0.78 ACSS2 (0.36)
SCHEMBL7068430 0.78 NPC1 (0.35) TPSAB1TPSD1TPSG1NPC1NR1H4

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 TPSAB1 5/4885TPSD1 6/4885TPSG1 3/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TPSAB1 5/4885TPSD1 3/4885TPSG1 2/4885

“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.