SCHEMBL20555481

SCHEMBL20555481

Cc1c([N+](=O)[O-])cnn1[C@H]1C[C@H](COS(C)(=O)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL20555479 1.00 ALDH1A1 (0.33) ALDH1A1PKMPOLBL3MBTL1LMNA
SCHEMBL20555145 0.82 ALDH1A1 (0.32) ALDH1A1PKMPOLBL3MBTL1LMNA
SCHEMBL20555148 0.82 ALDH1A1 (0.32) ALDH1A1PKMPOLBL3MBTL1LMNA
SCHEMBL20555088 0.81 POLB (0.36) ALDH1A1PKMPOLBL3MBTL1LMNA
SCHEMBL20555412 0.81 POLB (0.36) ALDH1A1PKMPOLBL3MBTL1LMNA
SCHEMBL20555294 0.80 POLB (0.34) ALDH1A1PKMPOLBL3MBTL1MEN1
SCHEMBL20555292 0.80 POLB (0.34) ALDH1A1PKMPOLBL3MBTL1MEN1
SCHEMBL20555397 0.78 PKM (0.33) ALDH1A1PKMPOLBL3MBTL1MEN1
SCHEMBL20555381 0.78 PKM (0.33) ALDH1A1PKMPOLBL3MBTL1MEN1
SCHEMBL20555333 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 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 (3 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT ALDH1A1 3433/4885PKM 232/4885POLB 1344/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA ALDH1A1 3312/4885PKM 234/4885POLB 1369/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT ALDH1A1 3433/4885PKM 232/4885POLB 1344/4885

“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.