Sugi Predict

Sugi Predict / Compounds / SCHEMBL2991045

SCHEMBL2991045

SCHEMBL2991045

O=c1[nH]c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.73
▸ TNKS2 Q9H2K2 3/20 0.73
▸ GUSB P08236 2/20 0.73
▸ NLRP3 Q96P20 1/20 0.73
▸ PARP2 Q9UGN5 1/20 0.73
▸ NPBWR1 P48145 7/20 0.71
▸ RAB9A P51151 7/20 0.71
▸ MAPT P10636 6/20 0.71
▸ NPC1 O15118 6/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ PARP1 P09874 2/20 0.59
▸ HTT P42858 4/20 0.58
▸ MMP2 P08253 2/20 0.58
▸ MMP9 P14780 2/20 0.58
▸ MMP8 P22894 2/20 0.58
▸ CASP3 P42574 2/20 0.58
▸ SENP8 Q96LD8 2/20 0.58
▸ SENP7 Q9BQF6 2/20 0.58
▸ SENP6 Q9GZR1 2/20 0.58
▸ MMP13 P45452 1/20 0.58

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
SCHEMBL30665826 0.93 TNKS (0.75) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL31399869 0.89 TNKS (0.65) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL15775356 0.84 TNKS (1.00) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL873782 0.84 GUSB (1.00) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL31399890 0.83 GUSB (0.61) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL12591986 0.83 GUSB (0.64) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL31679090 0.83 NPBWR1 (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2245102 0.83 NPBWR1 (1.00) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL259520 0.83 TNKS (0.68) TNKSTNKS2GUSBNLRP3PARP2
SCHEMBL347973 0.82 TNKS (0.54) TNKSTNKS2GUSBNLRP3PARP2

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
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 — — US claimed
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 claimed
CN-112645887-B Preparation method of quinazolinone derivative 淮阴工学院（CN） 2023-01-13 — — CN disclosed
CN-112645887-A Preparation method of quinazolinone derivative 淮阴工学院 2021-04-13 — — CN disclosed
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 — — US 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 TNKS 1914/4885TNKS2 1420/4885GUSB 18/4885

“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.