SCHEMBL6513683

SCHEMBL6513683

O=C(O)Oc1cccc(Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HRH1 P35367 4/20 0.38
FOLH1 Q04609 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
NCEH1 Q6PIU2 1/20 0.36

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
SCHEMBL6513679 1.00 HPGD (0.42) HPGDHRH1FOLH1POLBKCNH2
SCHEMBL7219340 0.85 HPGD (0.41) HPGDHRH1SMN1; SMN2CYP19A1CYP11B1
SCHEMBL5147274 0.82 HPGD (0.38) HPGDPOLBMEN1ALDH1A1KMT2A
SCHEMBL5148279 0.82 ALDH1A1 (0.44) HPGDPOLBMEN1ALDH1A1KMT2A
SCHEMBL6884210 0.80 HPGD (0.37) HPGDPOLBKCNH2MEN1ALDH1A1
SCHEMBL6257849 0.80 HPGD (0.37) HPGDPOLBKCNH2MEN1ALDH1A1
SCHEMBL5478147 0.80 HPGD (0.50) HPGDHRH1SMN1; SMN2
SCHEMBL795689 0.79 MEN1 (0.39) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6896028 0.79 NCEH1 (0.41) POLBKCNH2MEN1ALDH1A1KMT2A
SCHEMBL795688 0.79 MEN1 (0.39) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048552-A1 Higher order structure and binding of peptide nucleic acids ISIS PHARMACEUTICALS, INC. 2005-03-03 US disclosed
US-6770738-B1 USED TO MODULATE PROTEIN ACTIVITY THROUGH, FOR EXAMPLE, TRANSCRIPTION ARREST, TRANSCRIPTION INITIATION, AND SITE SPECIFIC CLEAVAGE OF NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-0776331-B1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2002-11-27 EP disclosed
US-5986053-A NUCLEIC ACID COMPLEXES WITH MULTISTRANDS AND SEQUENCES ISIS PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
US-5641625-A PEPTIDE NUCLEIC ACIDS FORMING DUPLEX, TRIPLEX AND OTHER STRUCTURES WITH NUCLEIC ACIDS; MODULATION OF PROTEIN ACTIVITY BY TRANSCRIPTION ARREST AND INITIATION; SPECIFIC SITE CLEAVAGE ISIS PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
EP-0776331-A1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-06-04 EP disclosed
WO-1995001370-A1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1995-01-12 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-20050048552-A1 Higher order structure and binding of peptide nucleic acids SSU72, DDX1, DDX18 HPGD 4385/4885HRH1 3397/4885FOLH1 2096/4885

“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.