SCHEMBL3774947

SCHEMBL3774947

O=C(C=Cc1n[nH]c2ccnc(OC3CCCCC3)c12)N1CCCC(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.59
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PROKR1 Q8TCW9 2/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP14 Q460N5 1/20 0.38

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
SCHEMBL13006073 1.00 LRRK2 (0.59) LRRK2MAPTALDH1A1LMNAPOLB
SCHEMBL3775072 0.90 MAPT (0.50) LRRK2MAPTALDH1A1LMNAPOLB
SCHEMBL13006068 0.90 MAPT (0.50) LRRK2MAPTALDH1A1LMNAPOLB
SCHEMBL3766198 0.81 LRRK2 (0.48) LRRK2
SCHEMBL3766207 0.81 LRRK2 (0.48) LRRK2
SCHEMBL3774944 0.80 LRRK2 (0.55) LRRK2MAPTALDH1A1LMNAPOLB
SCHEMBL10224702 0.80 LRRK2 (0.75) LRRK2MAPTALDH1A1NPC1RAB9A
SCHEMBL13834209 0.80 LRRK2 (0.75) LRRK2MAPTALDH1A1NPC1RAB9A
SCHEMBL27848191 0.77 LRRK2 (0.57) LRRK2KDM5AKDM4CKDM5BPROKR1
SCHEMBL27848195 0.77 LRRK2 (0.57) LRRK2KDM5AKDM4CKDM5BPROKR1

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 3 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
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP 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 2309/4885MAPT 4568/4885ALDH1A1 2980/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885MAPT 4576/4885ALDH1A1 2975/4885

“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.