Nitrobenzene

Nitrobenzene

SCHEMBL5555846

Fc1ccccc1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
LMNA P02545 2/20 0.76
HSPB1 P04792 1/20 0.55
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
CRHR2 Q13324 1/20 0.52
TLR9 Q9NR96 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
POLB P06746 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.48
NFE2L2 Q16236 1/20 0.47

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
Dinitrophenylene SCHEMBL27294590 0.89 TSHR (0.71) ALDH1A1LMNATSHRMEN1KMT2A
Nitrobenzene SCHEMBL9669095 0.87
Nitrobenzene SCHEMBL15525745 0.87 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Dinitrophenylene SCHEMBL27401564 0.87 TSHR (0.68) ALDH1A1LMNATSHRMEN1KMT2A
Nitrobenzene SCHEMBL20411 0.87
Nitrobenzene SCHEMBL1330825 0.87
Nitrobenzene SCHEMBL2358164 0.87 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL1330714 0.87
Nitrobenzene SCHEMBL2255264 0.87 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL28272569 0.85 ALDH1A1 (0.84) ALDH1A1LMNATSHRL3MBTL1MEN1

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
CN-106977523-A FSHR antagonists with phenyl and nafoxidine structure and preparation method thereof 河南师范大学 2017-07-25 CN disclosed
US-7205385-B2 magnetic resonance imaging agents; poly(amino acid-imaging agent) product can be obtained in high purity without a rigorous purification since all impurities are removed at the monomer synthesis stage GENERAL ELECTRIC COMPANY (US) 2007-04-17 US disclosed
US-20060104908-A1 Polymerization method for the synthesis of polypeptide imaging agents GENERAL ELECTRIC COMPANY (US) 2006-05-18 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-20060104908-A1 Polymerization method for the synthesis of polypeptide imaging agents DNPEP, NPPA, NGLY1 ALDH1A1 4815/4885LMNA 2702/4885HSPB1 3420/4885

“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.