SCHEMBL16985270

SCHEMBL16985270

Cc1c([N+](=O)[O-])cnn1C1CCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
PIK3CA P42336 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL16985293 0.92 POLB (0.38) PKMPOLBL3MBTL1CYP2C9MEN1
SCHEMBL19716115 0.90 POLB (0.39) PKMPOLBL3MBTL1LMNACYP2C9
SCHEMBL19716126 0.90 POLB (0.39) PKMPOLBL3MBTL1LMNACYP2C9
SCHEMBL23275100 0.87 PKM (0.40) PKMPOLBL3MBTL1LMNACYP2C9
SCHEMBL16985300 0.83 PKM (0.36) PKMPOLBLMNACYP2C9MEN1
SCHEMBL26121604 0.81 PKM (0.38) PKMPOLBL3MBTL1LMNAMEN1
SCHEMBL20555241 0.81 PKM (0.41) PKMPOLBL3MBTL1LMNACYP2C9
SCHEMBL16985367 0.81 PKM (0.34) PKMPOLBL3MBTL1LMNAMEN1
SCHEMBL16985297 0.80 PKM (0.35) PKMPOLBL3MBTL1LMNACYP2C9
SCHEMBL17610463 0.78 L3MBTL1 (0.40) POLBL3MBTL1LMNAMEN1KMT2A

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 7 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
CN-105940004-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-02-02 CN 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
CN-105940004-A Compounds 葛兰素史密斯克莱知识产权发展有限公司 2016-09-14 CN 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 PKM 957/4885POLB 1043/4885L3MBTL1 304/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 PKM 641/4885POLB 1065/4885L3MBTL1 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.