SCHEMBL21050820

SCHEMBL21050820

O=C(O)[C@H]1CN(C(=O)O)CCN1c1c([N+](=O)[O-])cnc2cc(Br)c(Cl)c(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HSD11B1 P28845 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21050902 0.92 MAPT (0.35) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21050673 0.86 ABL1 (0.38) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21099318 0.80 MET (0.39) MAPTALDH1A1
SCHEMBL21050906 0.79 MAPT (0.37) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21050809 0.79 CYP8B1 (0.33) ABL1BCR
SCHEMBL21050943 0.77 MAPT (0.36) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21052504 0.76 ABL1 (0.35) MAPTABL1BCRSMN1; SMN2HSD11B1
SCHEMBL21050774 0.75 MAPT (0.38) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21050913 0.74 MAPT (0.44) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21050725 0.70 MAPT (0.35) MAPTTDP1ALDH1A1

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-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 MAPT 2445/4885GAA 238/4885ABL1 84/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 MAPT 2445/4885GAA 238/4885ABL1 84/4885

“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.