SCHEMBL6578121

SCHEMBL6578121

CCc1c(C(=O)O)c(=O)oc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
MAOB P27338 4/20 0.49
MAOA P21397 3/20 0.49
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
EDNRB P24530 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAP2K1 Q02750 1/20 0.40
F12 P00748 1/20 0.40

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
SCHEMBL6578120 0.83 CA12 (0.53) CA12CA9MAOBMAOAMAPT
SCHEMBL2996087 0.83 CA12 (0.53) CA12CA9MAOBMAOAMAPT
SCHEMBL2226799 0.81 ESR2 (0.57) MAOAMAPTKMT2AMEN1POLB
SCHEMBL11464418 0.81 MEN1 (0.45) CA12CA9MAOBMAOAMAPT
SCHEMBL18038410 0.77 ALDH1A1 (0.58) MAOBMAPTKMT2AMEN1TP53
SCHEMBL13506406 0.76 CA12 (0.53) CA12CA9MAPTKMT2AMEN1
SCHEMBL8083350 0.76 CA12 (0.53) CA12CA9MAPTKMT2AMEN1
SCHEMBL6578090 0.75 CA12 (0.64) CA12CA9MAOBMAOAMAPT
SCHEMBL5332842 0.74 MAPT (0.63) CA12CA9MAOBMAOAMAPT
SCHEMBL15323553 0.74 NPC1 (0.52) CA12CA9MAOBMAOAMAPT

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.