SCHEMBL16985297

SCHEMBL16985297

Cc1c([N+](=O)[O-])cnn1C1CCOC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
TXNRD1 Q16881 1/20 0.34
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LRRK2 Q5S007 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 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
SCHEMBL20555375 0.84 PDE1C (0.42) ALDH1A1CYP2C9CYP1A2MAPTCYP2C19
SCHEMBL23275100 0.80 PKM (0.40) PKMALDH1A1CYP2C9LMNAPOLB
SCHEMBL16985270 0.80 PKM (0.37) PKMALDH1A1CYP2C9LMNAPOLB
SCHEMBL31121567 0.79 PDE1C (0.41) ALDH1A1CYP2C9CYP1A2MAPTCYP2C19
SCHEMBL20555241 0.78 PKM (0.41) PKMALDH1A1CYP2C9CYP1A2MAPT
SCHEMBL26121604 0.78 PKM (0.38) PKMALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL16975335 0.78 MAPT (0.41) PKMALDH1A1CYP2C9CYP1A2MAPT
SCHEMBL16985513 0.78 MAPT (0.41) PKMALDH1A1CYP2C9CYP1A2MAPT
SCHEMBL16985422 0.77 LRRK2 (0.34) ALDH1A1LMNAPOLBLRRK2
SCHEMBL16985293 0.77 POLB (0.38) PKMALDH1A1CYP2C9MAPTPOLB

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
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP 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
US-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2015-03-05 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 PKM 957/4885ALDH1A1 4033/4885CYP2C9 4786/4885
US-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS VHL, TP53, DLD PKM 2795/4885ALDH1A1 231/4885CYP2C9 4525/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 PKM 641/4885ALDH1A1 3795/4885CYP2C9 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.