SCHEMBL21469741

SCHEMBL21469741

BOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
HTR2A P28223 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
CES1 P23141 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CES2 O00748 1/20 0.49
MGLL Q99685 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 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
SCHEMBL26374 0.88 GAA (0.65) GAABCL9CTNNB1KMT2APKM
Hydrochloric Acid SCHEMBL7895043 0.86 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL3176066 0.85 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL14378853 0.85 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL19246046 0.83 GAA (0.59) GAABCL9CTNNB1KMT2APKM
SCHEMBL1639306 0.83 GAA (0.59) GAABCL9CTNNB1KMT2APKM
SCHEMBL23084891 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL2475075 0.81 BCL9 (0.58) GAABCL9CTNNB1KMT2APKM
Ethylene Glycol SCHEMBL5476146 0.81 BCL9 (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL6322393 0.81 SMN1; SMN2 (0.64) GAABCL9CTNNB1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224663-B2 Antibody drug conjugates PHARMA MAR, S.A. (ES) 2022-01-18 US disclosed
EP-3003386-B1 ANTIBODY DRUG CONJUGATES PHARMA MAR SA (ES) 2019-10-16 EP 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-11224663-B2 Antibody drug conjugates CD79B, OGFR, CD22 GAA 2083/4885BCL9 356/4885CTNNB1 997/4885

“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.