SCHEMBL3775461

SCHEMBL3775461

O=C(CCc1n[nH]c2ccnc(O)c12)N1CCCC(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.59
PROKR1 Q8TCW9 2/20 0.43
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL381938 1.00 LRRK2 (0.59) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL410641 0.87 LRRK2 (0.60) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL410640 0.87 LRRK2 (0.60) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL13834209 0.86 LRRK2 (0.75) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL10224702 0.86 LRRK2 (0.75) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL419524 0.85 LRRK2 (0.56) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL29857021 0.85 LRRK2 (0.56) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL419523 0.85 LRRK2 (0.56) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL3768989 0.85 LRRK2 (0.56) LRRK2PROKR1KDM5AKDM4CKDM5B
SCHEMBL13834165 0.83 LRRK2 (0.58) LRRK2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2309/4885PROKR1 548/4885KDM5A 4287/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885PROKR1 559/4885KDM5A 4306/4885

“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.