SCHEMBL2993366

SCHEMBL2993366

Cc1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
HPGD P15428 3/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 3/20 0.57
CYP1A2 P05177 2/20 0.57
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
CTSV O60911 2/20 0.55
CTSL P07711 2/20 0.55
PARP1 P09874 1/20 0.55
GRIA1 P42261 1/20 0.51

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
SCHEMBL9183096 0.80 CA12 (0.54) ALDH1A1CA12CA9LMNAGAA
SCHEMBL30349881 0.79 MAPT (0.61) ALDH1A1CA12CA9HPGDLMNA
SCHEMBL29540314 0.79 GABRA1 (0.70) ALDH1A1CA12CA9LMNAMAPT
SCHEMBL155013 0.79 GABRA1 (0.70) ALDH1A1CA12CA9LMNAMAPT
SCHEMBL9389021 0.78 PARP1 (0.60) ALDH1A1CA12CA9LMNAMAPT
SCHEMBL317330 0.78 CYP19A1 (0.60) ALDH1A1CA12CA9HPGDLMNA
SCHEMBL30917347 0.78 CYP19A1 (0.60) ALDH1A1CA12CA9HPGDLMNA
SCHEMBL9389366 0.78 CTSV (0.58) ALDH1A1CA12CA9LMNAMAPT
SCHEMBL9452393 0.77 NGFR (0.60) ALDH1A1CA12CA9HPGDLMNA
SCHEMBL12722533 0.77 MAPT (0.59) ALDH1A1CA12CA9LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US claimed
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US disclosed
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 ALDH1A1 119/4885CA12 3288/4885CA9 2621/4885

“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.