SCHEMBL1217303

SCHEMBL1217303

Cc1ccc(CN2C(=O)C(=O)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.77
▸ CASP7 P55210 3/20 0.77
▸ CASP1 P29466 2/20 0.77
▸ CASP4 P49662 2/20 0.77
▸ CASP9 P55211 2/20 0.77
▸ CASP6 P55212 2/20 0.77
▸ CASP8 Q14790 1/20 0.77
▸ CA12 O43570 3/20 0.67
▸ CA1 P00915 3/20 0.67
▸ CA2 P00918 3/20 0.67
▸ CA9 Q16790 3/20 0.67
▸ ACHE P22303 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ TP53 P04637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL8019897 0.88 CASP3 (0.79) CASP3CASP7CASP1CASP4CASP9
SCHEMBL13017740 0.87 ACHE (0.61) CASP3CASP7CASP1CASP4CASP9
SCHEMBL8019337 0.87 CASP3 (1.00) CASP3CASP7CASP1CASP4CASP9
SCHEMBL13627912 0.84 MAPT (0.57) CASP3CASP7CASP1CASP4CASP9
SCHEMBL16329852 0.83 ACHE (0.83) CA12CA1CA2CA9ACHE
SCHEMBL28946309 0.83 CASP3 (0.66) CASP3CASP7CASP1CASP4CASP9
SCHEMBL29699570 0.81 CASP3 (0.67) CASP3CASP7CASP1CASP4CASP9
SCHEMBL28799594 0.81 CASP3 (0.67) CASP3CASP7CASP1CASP4CASP9
SCHEMBL21774731 0.81 CASP1 (0.67) CASP3CASP7CASP1CASP4CASP9
SCHEMBL18954825 0.80 CA1 (1.00) CASP3CASP7CASP1CASP4CASP9

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 — — EP claimed
US-20050136065-A1 Use of small molecule compounds for immunopotentiation CHIRON CORPORATION (US) 2005-06-23 — — US claimed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 — — WO claimed
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 — — EP disclosed
EP-2258365-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-05-29 — — EP disclosed
EP-2583678-A2 Small molecule immunopotentiators and assays for their detection Novartis Vaccines and Diagnostics, Inc. (US) 2013-04-24 — — EP disclosed
EP-2583678-A2 Small molecule immunopotentiators and assays for their detection Novartis Vaccines and Diagnostics, Inc. (US) 2013-04-24 — — EP disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 — — US disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 — — US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 — — US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 — — US disclosed
EP-2258365-A1 Use of organic compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2010-12-08 — — EP disclosed
US-20060257852-A1 Severe acute respiratory syndrome coronavirus CHIRON CORPORATION (US) 2006-11-16 — — US disclosed
EP-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 — — EP disclosed
US-20050136065-A1 Use of small molecule compounds for immunopotentiation CHIRON CORPORATION (US) 2005-06-23 — — US disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 — — 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 (3 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-20060257852-A1 Severe acute respiratory syndrome coronavirus SARS1, ACE2, ACE CASP3 1534/4885CASP7 2179/4885CASP1 1387/4885
US-20050136065-A1 Use of small molecule compounds for immunopotentiation ICOS, CD14, LCP2 CASP3 3897/4885CASP7 3519/4885CASP1 3113/4885
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection ICOS, CD14, MAVS CASP3 3741/4885CASP7 3911/4885CASP1 3617/4885

“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.

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