SCHEMBL16985380

SCHEMBL16985380

Cc1c([N+](=O)[O-])cnn1C1CCOCC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
LRRK2 Q5S007 2/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TXNRD1 Q16881 1/20 0.32
CYP3A4 P08684 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
RIPK2 O43353 1/20 0.31
CYP2D6 P10635 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
SCHEMBL16985523 0.86 PKM (0.34) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL16975419 0.86 LRRK2 (0.46) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL4561596 0.80 PKM (0.38) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL20555375 0.79 PDE1C (0.42) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL16985307 0.79 JAK1 (0.35) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL31121565 0.78 PDE1B (0.36) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL16985378 0.78 LRRK2 (0.36) LRRK2
SCHEMBL23275100 0.75 PKM (0.40) ALDH1A1CYP2C9PKMPOLBL3MBTL1
SCHEMBL31121567 0.75 PDE1C (0.41) ALDH1A1MAPTCYP2C9CYP1A2CYP2C19
SCHEMBL20640710 0.74 MAPK1 (0.33) ALDH1A1MAPTL3MBTL1GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4033/4885MAPT 9/4885CYP2C9 4786/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885MAPT 6/4885CYP2C9 4821/4885

“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.