SCHEMBL21050673

SCHEMBL21050673

O=C(O)[C@H]1CN(C(=O)O)CCN1c1c([N+](=O)[O-])cnc2cc(Br)c(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP8B1 Q9UNU6 1/20 0.33
PDGFRB P09619 2/20 0.32
KRAS P01116 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL21052504 0.90 ABL1 (0.35) ABL1BCRMAPTSMN1; SMN2CYP8B1
SCHEMBL21050677 0.88 ABL1 (0.36) ABL1BCRCYP8B1PDGFRBKRAS
SCHEMBL21050918 0.88 ABL1 (0.36) ABL1BCRCYP8B1PDGFRBKRAS
SCHEMBL21050676 0.88 ABL1 (0.36) ABL1BCRCYP8B1PDGFRBKRAS
SCHEMBL21050764 0.88 ABL1 (0.36) ABL1BCRCYP8B1PDGFRBKRAS
SCHEMBL21050820 0.86 MAPT (0.37) ABL1BCRMAPTGAASMN1; SMN2
SCHEMBL21050944 0.84 ABL1 (0.36) ABL1BCRCYP8B1PDGFRBKRAS
SCHEMBL21050902 0.83 MAPT (0.35) ABL1BCRMAPTGAASMN1; SMN2
SCHEMBL21050943 0.83 MAPT (0.36) ABL1BCRMAPTGAASMN1; SMN2
SCHEMBL21050906 0.80 MAPT (0.37) ABL1BCRMAPTGAASMN1; SMN2

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 ABL1 84/4885BCR 1121/4885MAPT 2445/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 ABL1 84/4885BCR 1121/4885MAPT 2445/4885

“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.