SCHEMBL20555502

SCHEMBL20555502

CCOC(=O)C(C)n1ncc([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MITF O75030 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL16975409 0.82 POLB (0.46) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL28187733 0.79 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL20555350 0.77 POLB (0.42) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL26120909 0.77 POLB (0.41) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL16975579 0.77 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL20555279 0.77 POLB (0.40) ALDH1A1SMN1; SMN2MAPK1L3MBTL1POLB
SCHEMBL27439921 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1POLBKMT2A
SCHEMBL9332638 0.74 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL30908417 0.73 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MAPK1POLB
SCHEMBL26120935 0.72 POLB (0.40) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1

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 3433/4885MAPT 3/4885SMN1; SMN2 76/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA ALDH1A1 3312/4885MAPT 5/4885SMN1; SMN2 78/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT ALDH1A1 3433/4885MAPT 3/4885SMN1; SMN2 76/4885

“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.

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