SCHEMBL6578090

SCHEMBL6578090

CC(=O)c1c(C)c2ccc([N+](=O)[O-])cc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA9 Q16790 2/20 0.64
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.48
MAP2K1 Q02750 1/20 0.44
HSD17B3 P37058 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
CCNT1 O60563 1/20 0.43
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2996087 0.89 CA12 (0.53) CA12CA9MAOBMAOAMAPT
SCHEMBL6578120 0.89 CA12 (0.53) CA12CA9MAOBMAOAMAPT
SCHEMBL125671 0.80 HSD17B3 (0.71) CA12CA9MAOBMAPTKMT2A
SCHEMBL7944663 0.78 SRC (0.53) CA12CA9MAPTHSD17B3CCNT1
SCHEMBL9277041 0.75 CA12 (0.60) CA12CA9MAOBMAOAMAPT
SCHEMBL6578121 0.75 CA12 (0.50) CA12CA9MAOBMAOAMAPT
SCHEMBL5332842 0.74 MAPT (0.63) CA12CA9MAOBMAOAMAPT
SCHEMBL2369946 0.73 HTT (0.51) CA12CA9MAPTKMT2AMEN1
SCHEMBL26987736 0.73 CA12 (0.80) CA12CA9MAOBMAOAMAPT
SCHEMBL7795084 0.73 GPR35 (0.54) CA12CA9MAPTKMT2AMEN1

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 3105/4885MAOB 130/4885

“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.