SCHEMBL16985266

SCHEMBL16985266

COc1c([N+](=O)[O-])cnn1C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.43
PDE1B Q01064 8/20 0.41
PDE1C Q14123 8/20 0.41
PDE1A P54750 7/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36

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 0.81 PDE1C (0.42) TXNRD1PDE1BPDE1CPDE1APDE4D
SCHEMBL4560602 0.78 PDE1C (0.40) TXNRD1PDE1BPDE1CPDE1APDE4D
SCHEMBL16985276 0.77 LRRK2 (0.38) TXNRD1PDE1BPDE1CPDE1APDE4D
SCHEMBL31121567 0.77 PDE1C (0.41) TXNRD1PDE1BPDE1CPDE1APDE4D
SCHEMBL16985254 0.77 PDE4D (0.40) PDE1BPDE1CPDE1APDE4D
SCHEMBL25420038 0.72 ALDH1A1 (0.39) PDE1BPDE1CPDE1AKMT2APDE4D
SCHEMBL23275100 0.71 PKM (0.40) KMT2AMEN1LMNAALDH1A1CYP2C9
SCHEMBL2518888 0.69 CYP1A2 (0.37) TXNRD1KMT2AMEN1LMNAALDH1A1
SCHEMBL16975516 0.69 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL26121604 0.69 PKM (0.38) PDE1CKMT2AMEN1LMNAALDH1A1

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 TXNRD1 1294/4885PDE1B 2511/4885PDE1C 2985/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 TXNRD1 1372/4885PDE1B 3415/4885PDE1C 3722/4885

“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.