SCHEMBL16985367

SCHEMBL16985367

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A2 P23975 1/20 0.33
POLB P06746 2/20 0.32
GPR119 Q8TDV5 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
TXNRD1 Q16881 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
SCHEMBL23275100 0.81 PKM (0.40) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL16985270 0.81 PKM (0.37) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL16985293 0.78 POLB (0.38) PKMALDH1A1MEN1KMT2APOLB
SCHEMBL19716115 0.76 POLB (0.39) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL19716126 0.76 POLB (0.39) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL20555241 0.76 PKM (0.41) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL26121604 0.76 PKM (0.38) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL20555481 0.76 ALDH1A1 (0.33) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL20555479 0.76 ALDH1A1 (0.33) PKMALDH1A1LMNAMEN1KMT2A
SCHEMBL16985368 0.76 POLB (0.37) ALDH1A1LMNAMEN1KMT2ACYP2D6

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
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 957/4885ALDH1A1 4033/4885LMNA 1157/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 PKM 641/4885ALDH1A1 3795/4885LMNA 802/4885

“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.