SCHEMBL16985365

SCHEMBL16985365

O=[N+]([O-])c1cnn(C2CC=CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.40
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
MAPK1 P28482 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HTT P42858 1/20 0.31
VCAM1 P19320 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 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
SCHEMBL2517797 0.87 PKM (0.39) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL31319707 0.84 PKM (0.38) PKMMEN1KMT2APOLBGSR
SCHEMBL22518587 0.83 PKM (0.37) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL16975528 0.81 PKM (0.34) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL4560602 0.81 PDE1C (0.40) PKMALDH1A1TXNRD1MAPT
SCHEMBL16985300 0.81 PKM (0.36) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL20555241 0.81 PKM (0.41) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL21087607 0.80 PKM (0.39) PKMALDH1A1MEN1KMT2ATDP1
SCHEMBL30996621 0.80 NR3C1 (0.37) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL16985360 0.80 PKM (0.33) PKMLMNAALDH1A1MEN1KMT2A

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 10 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-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
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20180354956-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-13 US disclosed
US-10087186-B2 Compounds as LRRK2 kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-02 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
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 (4 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 957/4885LMNA 1157/4885ALDH1A1 4033/4885
US-10087186-B2 Compounds as LRRK2 kinase inhibitors LRRK2, PINK1, PARK7 PKM 576/4885LMNA 716/4885ALDH1A1 4132/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 PKM 641/4885LMNA 802/4885ALDH1A1 3795/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 PKM 641/4885LMNA 802/4885ALDH1A1 3795/4885

“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.