SCHEMBL16985306

SCHEMBL16985306

Cc1nn(C2CCCOC2)cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 6/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
RAB9A P51151 1/20 0.32
LRRK2 Q5S007 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
PIK3CA P42336 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL4561604 0.86 ALDH1A1 (0.35) MAPTKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL17027328 0.85 MAPT (0.39) MAPTKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL20652286 0.84 ALDH1A1 (0.38) MAPTL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL20640776 0.84 MAPT (0.32) MAPTALDH1A1
SCHEMBL20640673 0.84 KMT2A (0.30) L3MBTL1KMT2ATXNRD1
SCHEMBL30267448 0.83 KMT2A (0.40) MAPTL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL25018637 0.81 ALDH1A1 (0.34) MAPTALDH1A1KMT2AMEN1NPY1R
SCHEMBL15528102 0.81 LRRK2 (0.45) MAPTKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL22648246 0.81 IRAK4 (0.34) MAPTKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL4561066 0.79 LRRK2 (0.34) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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 (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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 MAPT 9/4885KDM4E 3160/4885L3MBTL1 304/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 MAPT 6/4885KDM4E 3164/4885L3MBTL1 491/4885

“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.