SCHEMBL20555201

SCHEMBL20555201

Cc1nn(C(C)(C)C=O)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
POLB P06746 4/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GPR35 Q9HC97 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
GRK5 P34947 1/20 0.31
LIMK1 P53667 1/20 0.31
PKM P14618 1/20 0.31
GALR2 O43603 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL20555353 0.79 GPR35 (0.38) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL4559487 0.79 MAPT (0.39) ALDH1A1POLBMAPTTDP1GPR35
SCHEMBL20555195 0.78 POLB (0.33) ALDH1A1POLBMAPTGAATDP1
SCHEMBL15528397 0.78 ALDH1A1 (0.35) ALDH1A1POLBMAPTKMT2AGPR35
SCHEMBL4561198 0.78 GPR35 (0.37) ALDH1A1POLBMAPTKMT2AGPR35
SCHEMBL20555643 0.78 LRRK2 (0.37) ALDH1A1POLBMAPTTDP1
SCHEMBL20555297 0.78 LRRK2 (0.36) ALDH1A1POLBMAPTGAAGPR35
SCHEMBL15528413 0.76 GPR35 (0.36) ALDH1A1POLBMAPTGPR35PKM
SCHEMBL15528276 0.75 LRRK2 (0.39) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL20555074 0.75 NPSR1 (0.44) ALDH1A1POLBMAPTGAATDP1

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 3433/4885POLB 1344/4885MAPT 3/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA ALDH1A1 3312/4885POLB 1369/4885MAPT 5/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT ALDH1A1 3433/4885POLB 1344/4885MAPT 3/4885

“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.