SCHEMBL7072025

SCHEMBL7072025

Cc1ccc(C(=O)O)c(OCCNC(=O)c2ccc3nc(C(C)c4nc5cc(NC(=N)N)ccc5[nH]4)n(C)c3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.36
TPSD1 Q9BZJ3 3/20 0.36
TPSG1 Q9NRR2 3/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 5/20 0.33
MAPT P10636 2/20 0.33
F9 P00740 2/20 0.33
F7 P08709 2/20 0.33
F11 P03951 1/20 0.33
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
PRSS12 P56730 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7073866 0.93 MAPT (0.35) TPSAB1TPSD1TPSG1LMNANPSR1
SCHEMBL7071886 0.93 TPSAB1 (0.35) TPSAB1TPSD1TPSG1NR1H4MAPT
SCHEMBL7072722 0.92 MAPT (0.38) TPSAB1TPSD1TPSG1NR1H4MAPT
SCHEMBL7070314 0.90 F7 (0.38) TPSAB1TPSD1TPSG1LMNANR1H4
SCHEMBL7067665 0.90 TPSAB1 (0.36) TPSAB1TPSD1TPSG1NR1H4MAPT
SCHEMBL7073370 0.89 TPSAB1 (0.42) TPSAB1TPSD1TPSG1NR1H4NPC1
SCHEMBL7070433 0.89 TPSAB1 (0.34) TPSAB1TPSD1TPSG1NR1H4MAPT
SCHEMBL7071802 0.88 TPSAB1 (0.37) TPSAB1TPSD1TPSG1LMNAMAPT
SCHEMBL7075123 0.88 PDE4A (0.42) TPSAB1TPSD1TPSG1MAPTPOLB
SCHEMBL7073556 0.88 TPSAB1 (0.39) 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 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
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 (1 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-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.