SCHEMBL7069773

SCHEMBL7069773

CC(c1nc2cc(NC(=N)N)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3cccc(C(=O)O)c3)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
NR1H4 Q96RI1 9/20 0.39
NPC1 O15118 1/20 0.38
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 2/20 0.37

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
SCHEMBL7073556 0.94 TPSAB1 (0.39) F10NR1H4NPC1TPSAB1TPSD1
SCHEMBL7073370 0.93 TPSAB1 (0.42) NR1H4NPC1TPSAB1TPSD1TPSG1
SCHEMBL7067665 0.91 TPSAB1 (0.36) F10NR1H4NPC1TPSAB1TPSD1
SCHEMBL7072722 0.88 MAPT (0.38) F10NR1H4NPC1TPSAB1TPSD1
SCHEMBL7075123 0.87 PDE4A (0.42) NPC1TPSAB1TPSD1TPSG1MAPT
SCHEMBL7068197 0.87 KDM4E (0.36) NR1H4NPC1TPSAB1TPSD1TPSG1
SCHEMBL7072381 0.87 TPSAB1 (0.41) NPC1TPSAB1TPSD1TPSG1TP53
SCHEMBL7071802 0.86 TPSAB1 (0.37) NPC1TPSAB1TPSD1TPSG1TP53
SCHEMBL7070314 0.86 F7 (0.38) F10NR1H4NPC1TPSAB1TPSD1
SCHEMBL7072025 0.86 TPSAB1 (0.36) NR1H4NPC1TPSAB1TPSD1TPSG1

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 F10 1801/4885NR1H4 1690/4885NPC1 1362/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 F10 3661/4885NR1H4 902/4885NPC1 3932/4885

“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.