SCHEMBL20640649

SCHEMBL20640649

Cc1c([N+](=O)[O-])c(O)nn1C1CCCOC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
SPR P35270 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31
HTT P42858 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
SCHEMBL25176756 0.96 MAPK1 (0.33) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL25176681 0.90 ALDH1A1 (0.36) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL20640600 0.85 MAPK1 (0.33) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL25167837 0.85 MAPK1 (0.33) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL20640839 0.84 ALDH1A1 (0.36) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL25174186 0.81 MAPK1 (0.33) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL20640606 0.80
SCHEMBL20640710 0.79 MAPK1 (0.33) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL26695907 0.78 ALDH1A1 (0.36) GAAALDH1A1MAPK1NPSR1MAPT
SCHEMBL30712123 0.78 MAPT (0.39) GAAMAPK1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251397-A LRRK2 inhibitors H.隆德贝克有限公司 2024-06-25 CN disclosed
US-11993612-B2 LRRK2 inhibitors H. LUNDBECK A/S (DK) 2024-05-28 US disclosed
CN-117425660-A Aromatic heterocyclic compound, intermediate thereof, pharmaceutical composition and application 上海翊石医药科技有限公司 2024-01-19 CN disclosed
US-20230416272-A1 LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2023-12-28 US disclosed
WO-2023222005-A1 AROMATIC HETEROCYCLIC COMPOUND AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海翊石医药科技有限公司 2023-11-23 WO disclosed
US-11780851-B2 LRRK2 inhibitors H. LUNDBECK A/S (DK) 2023-10-10 US disclosed
WO-2023073013-A9 LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2023-08-17 WO disclosed
US-20230144725-A1 LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2023-05-11 US disclosed
US-20230144725-A1 LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2023-05-11 US disclosed
WO-2023073013-A1 LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2023-05-04 WO disclosed
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
EP-3652179-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-05-20 EP disclosed
CN-110891954-A Inhibitors of leucine-rich repeat kinase 2 葛兰素史密斯克莱知识产权发展有限公司 2020-03-17 CN disclosed
WO-2019012093-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-17 WO disclosed
WO-2019012093-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-17 WO 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 (5 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-11993612-B2 LRRK2 inhibitors LRRK2, PARK7, PINK1 GAA 90/4885ALDH1A1 2464/4885MAPK1 148/4885
US-11780851-B2 LRRK2 inhibitors LRRK2, PARK7, PINK1 GAA 90/4885ALDH1A1 2464/4885MAPK1 148/4885
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 LRRK2, PARK7, PINK1 GAA 438/4885ALDH1A1 4577/4885MAPK1 232/4885
US-20230416272-A1 LRRK2 INHIBITORS LRRK2, PARK7, PINK1 GAA 90/4885ALDH1A1 2464/4885MAPK1 148/4885
US-20230144725-A1 LRRK2 INHIBITORS LRRK2, PARK7, PINK1 GAA 90/4885ALDH1A1 2464/4885MAPK1 148/4885

“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.