SCHEMBL2989115

SCHEMBL2989115

O=C(O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 2/20 0.43
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
PLA2G2A P14555 1/20 0.41
LMNA P02545 2/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KRAS P01116 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
SCHEMBL22493026 0.85 MEN1 (0.49) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3184801 0.82 KRAS (0.55) KMT2ACYP1A2KRAS
SCHEMBL2870320 0.79 KMT2A (0.54) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL2873839 0.79 KMT2A (0.54) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL14564434 0.77 KDM4E (0.47) MAPTKMT2AALDH1A1AKR1B1POLB
SCHEMBL18555872 0.76 KMT2A (0.46) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL30337629 0.74 MEN1 (0.43) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL16536117 0.74 ALDH1A1 (0.51) KMT2AALDH1A1AKR1B1PLA2G2ALMNA
SCHEMBL30095388 0.74 MAPT (0.53) MAPTKMT2AMEN1CYP1A2POLB
SCHEMBL2990303 0.74 MAPT (0.53) MAPTKMT2AMEN1CYP1A2POLB

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 MAPT 3792/4885KMT2A 3023/4885MEN1 4838/4885

“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.