SCHEMBL20120119

SCHEMBL20120119

O=C(O)C(O)Cc1c[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.48
CDK2 P24941 3/20 0.48
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
BACE1 P56817 1/20 0.45
DNMT1 P26358 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
APAF1 O14727 1/20 0.42
MPO P05164 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL30156847 0.86 KMT2A (0.60) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL16028654 0.86 KMT2A (0.60) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL5279332 0.86 KMT2A (0.60) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL16029611 0.86 KMT2A (0.60) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL20569932 0.83 KMT2A (0.55) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL30157013 0.83 KMT2A (0.55) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL21904773 0.83 KMT2A (0.55) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL20570600 0.83 KMT2A (0.55) KMT2ACDK2KDM4ELMNAALDH1A1
SCHEMBL2884596 0.81 ALDH1A1 (0.62) SMN1; SMN2KMT2ACDK2KDM4ELMNA
SCHEMBL20571245 0.81 KMT2A (0.53) KMT2ACDK2DNMT1POLB

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 SMN1; SMN2 4392/4885KMT2A 3004/4885CDK2 3721/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 SMN1; SMN2 4392/4885KMT2A 3004/4885CDK2 3721/4885

“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.