SCHEMBL7070433

SCHEMBL7070433

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccc(Cl)cc3C(=O)O)cc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.34
TPSD1 Q9BZJ3 3/20 0.34
TPSG1 Q9NRR2 3/20 0.34
NR1H4 Q96RI1 1/20 0.34
F9 P00740 2/20 0.34
F11 P03951 2/20 0.34
F7 P08709 2/20 0.34
PRSS12 P56730 5/20 0.33
RIPK2 O43353 1/20 0.32
F2 P00734 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
F10 P00742 2/20 0.32
PLAU P00749 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
THRB P10828 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
SCHEMBL7071926 0.95 TPSAB1 (0.35) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7071886 0.95 TPSAB1 (0.35) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7070314 0.92 F7 (0.38) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7072722 0.92 MAPT (0.38) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7074548 0.90 TPSAB1 (0.34) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7072025 0.89 TPSAB1 (0.36) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7067665 0.89 TPSAB1 (0.36) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7071802 0.88 TPSAB1 (0.37) TPSAB1TPSD1TPSG1TP53MAPT
SCHEMBL7068197 0.88 KDM4E (0.36) TPSAB1TPSD1TPSG1NR1H4F9
SCHEMBL7073370 0.88 TPSAB1 (0.42) TPSAB1TPSD1TPSG1NR1H4NPC1

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 9 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 claimed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US claimed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP claimed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO claimed
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.