SCHEMBL4894972

SCHEMBL4894972

Cc1ccc2c(c1)no[n+]2[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
NPSR1 Q6W5P4 1/20 0.47
GRIA2 P42262 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 2/20 0.41
IDO1 P14902 1/20 0.39

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
6-Methylbenzo[C][1,2,5]Oxadiazole1-Oxide SCHEMBL6199005 0.85 NPSR1 (0.47) CA12CA2CA9NPSR1GRIA2
SCHEMBL11741140 0.82 CA12 (0.47) CA12CA2CA9NPSR1GRIA2
SCHEMBL7747611 0.77 CA12 (0.56) CA12CA2CA9NPSR1GRIA2
SCHEMBL7752547 0.77 CA12 (0.56) CA12CA2CA9NPSR1GRIA2
SCHEMBL1420493 0.77 CA12 (0.56) CA12CA2CA9NPSR1GRIA2
SCHEMBL19294776 0.77 CA12 (0.51) CA12CA2CA9NPSR1GRIA2
SCHEMBL10574018 0.77 CA12 (0.51) CA12CA2CA9ALDH1A1MAPT
SCHEMBL8686150 0.76 GRIA2 (0.51) CA12CA2CA9NPSR1GRIA2
SCHEMBL10576406 0.74 CA12 (0.74) CA12CA2CA9NPSR1MAPT
SCHEMBL10572650 0.73 CA12 (0.51) CA12CA2CA9GRIA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114038-A1 Drugs Derived from Diclofenac Containing No-Donor Heterocycles, Composition and Method of Inflammation Treatment PEDRAZZOLI JOSE 2008-05-15 US disclosed
WO-2006042387-A1 DRUGS DERIVED FROM DICLOFENAC CONTAINING NO-DONOR HETEROCYCLES, COMPOSITION AND METHOD OF INFLAMMATION TREATMENT CMAX OTIMIZACÃO DE RESULTADOS S C LTDA (BR) 2006-04-27 WO disclosed
US-4866175-A REACTING BENZOFUROXAN WITH MALONIC ESTER, CYANO(ESTER OR AMIDE), KETO(ESTER OR AMIDE), DIKETONE, MALONONITRILE, OR NITRO COMPOUND RESEARCH CORPORATION (US) 1989-09-12 US disclosed
US-4343942-A BACTERICIDES RESEARCH CORPORATION (US) 1982-08-10 US disclosed
US-4001410-A MICROBIOCIDES AND LIVESTOCK GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3980779-A ANTIMICROBIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US 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-20080114038-A1 Drugs Derived from Diclofenac Containing No-Donor Heterocycles, Composition and Method of Inflammation Treatment PTGS1, PTGS2, PTGES CA12 3542/4885CA2 873/4885CA9 1739/4885

“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.