SCHEMBL6513674

SCHEMBL6513674

O=C(Oc1cccc([N+](=O)[O-])c1Cc1ccccc1)Oc1cccc([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 3/20 0.45
KCNH2 Q12809 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.41
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3211253 0.86 NPC1 (0.50) ALDH1A1MEN1KMT2APOLBKCNH2
SCHEMBL5147271 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBKCNH2
SCHEMBL16519973 0.81 TDP1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5148269 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ARAB9ANPC1
Bicarbonate SCHEMBL18955378 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APOLBKCNH2
Bicarbonate SCHEMBL18955379 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APOLBKCNH2
SCHEMBL57736 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL29911025 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL4686653 0.78 TSHR (0.55) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL7628284 0.78 KMT2A (0.48) ALDH1A1MEN1KMT2APOLBRAB9A

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 ALDH1A1 4852/4885MEN1 1868/4885KMT2A 2211/4885

“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.