SCHEMBL21050906

SCHEMBL21050906

O=C(O)[C@H]1CN(C(=O)O)CCN1c1c([N+](=O)[O-])cnc2c(Cl)c(Br)c(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
POLB P06746 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KRAS P01116 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
SCHEMBL21050774 0.90 MAPT (0.38) MAPTALDH1A1LMNAGAAABL1
SCHEMBL21050943 0.88 MAPT (0.36) MAPTALDH1A1LMNAGAAABL1
SCHEMBL21050913 0.82 MAPT (0.44) MAPTALDH1A1LMNAGAAABL1
SCHEMBL21050902 0.81 MAPT (0.35) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL21050673 0.80 ABL1 (0.38) MAPTALDH1A1LMNAGAAABL1
SCHEMBL21099325 0.80 KCNH2 (0.37) MAPTALDH1A1LMNATDP1
SCHEMBL21050820 0.79 MAPT (0.37) MAPTALDH1A1GAAABL1BCR
SCHEMBL21050628 0.77 MAPT (0.40) MAPTGAAABL1BCRSMN1; SMN2
SCHEMBL28681459 0.77 KCNH2 (0.38) MAPTALDH1A1LMNAKRAS
SCHEMBL21050833 0.76 KRAS (0.34) MAPTALDH1A1LMNAABL1BCR

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 2445/4885ALDH1A1 26/4885LMNA 1486/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 MAPT 2445/4885ALDH1A1 26/4885LMNA 1486/4885

“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.