SCHEMBL7122845

SCHEMBL7122845

CC(=N)N1CCc2[nH]c(C(C)c3nc4ccc(C(=O)NC(CC(C)C)C(=O)O)cc4n3C)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.37
SORT1 Q99523 3/20 0.37
NR1H4 Q96RI1 7/20 0.37
PLG P00747 5/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL7074567 0.92 TAS1R3 (0.38) NR1H4PLGTAS1R3TAS1R1
SCHEMBL7073159 0.88 TP53 (0.36) PLG
SCHEMBL7478886 0.85 PLG (0.33) NR1H4PLG
SCHEMBL7484578 0.83 PLG (0.33) NR1H4PLG
SCHEMBL7482383 0.83 PLG (0.33) NR1H4PLG
SCHEMBL7072446 0.83 LMNA (0.41)
SCHEMBL7477974 0.81 PLG (0.32) NR1H4PLG
SCHEMBL7075194 0.80 ACSS2 (0.36)
SCHEMBL7477644 0.80 MAPK1 (0.38) PLG
SCHEMBL7068659 0.79 NPC1 (0.36) NR1H4

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 GRN 1503/4885SORT1 2893/4885NR1H4 1690/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 GRN 4006/4885SORT1 4751/4885NR1H4 902/4885

“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.