SCHEMBL16985293

SCHEMBL16985293

Cc1c([N+](=O)[O-])cnn1C1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.34
PDK2 Q15119 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL23275100 0.92 PKM (0.40) POLBL3MBTL1MEN1KMT2APKM
SCHEMBL16985270 0.92 PKM (0.37) POLBL3MBTL1MEN1KMT2AGSK3A
SCHEMBL19716115 0.87 POLB (0.39) POLBL3MBTL1MEN1KMT2APKM
SCHEMBL19716126 0.87 POLB (0.39) POLBL3MBTL1MEN1KMT2APKM
SCHEMBL26121604 0.86 PKM (0.38) POLBL3MBTL1MEN1KMT2APKM
SCHEMBL20555375 0.84 PDE1C (0.42) POLBALDH1A1CYP2C9MAPT
SCHEMBL17610463 0.83 L3MBTL1 (0.40) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17610460 0.83 L3MBTL1 (0.40) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL15995596 0.82 ALOX15 (0.50) POLBL3MBTL1MEN1KMT2APKM
SCHEMBL30996604 0.82 PKM (0.36) POLBL3MBTL1MEN1KMT2APKM

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 5 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
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
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 POLB 1043/4885L3MBTL1 304/4885MEN1 4432/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 POLB 1065/4885L3MBTL1 491/4885MEN1 4512/4885

“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.