SCHEMBL6578099

SCHEMBL6578099

CNc1c(C(C)=O)c(=O)oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.65
▸ CA9 Q16790 2/20 0.65
▸ MAPT P10636 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL15842273 0.82 CA12 (0.75) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL30933370 0.79 CA12 (1.00) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL3527681 0.79 CA12 (1.00) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL2154447 0.78 CA12 (0.69) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL27349181 0.76 VKORC1 (0.52) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL24358817 0.76 CA12 (0.67) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL14399066 0.76 KDM4E (1.00) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL24199378 0.76 CA12 (0.66) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL28844992 0.75 CA12 (0.65) CA12CA9MAPTKDM4EALDH1A1
SCHEMBL13315777 0.74 CA12 (0.63) CA12CA9MAPTKDM4EALDH1A1

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
EP-1124986-B1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX SA (FR) 2004-05-06 — — EP disclosed
US-6555332-B2 Calibration using fluorescence signals BIOMERIEUX S.A. (FR) 2003-04-29 — — US disclosed
US-20020031795-A1 Nitrocoumarins for detecting all micro-organisms BIOMERIEUX S.A. (FR) 2002-03-14 — — US disclosed
EP-1124986-A1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS Biomerieux S.A. (FR) 2001-08-22 — — EP disclosed
WO-2000028073-A1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX S.A. (FR) 2000-05-18 — — 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-20020031795-A1 Nitrocoumarins for detecting all micro-organisms CBR3, CYB5R3, CBR1 CA12 4339/4885CA9 3105/4885MAPT 4082/4885

“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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