SCHEMBL20595367

SCHEMBL20595367

Nc1ccccc2c3ccccc3nc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.59
ACHE P22303 6/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 3/20 0.50
HPGD P15428 3/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
NQO2 P16083 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL4492054 0.77 ADORA2A (0.47) ADORA2AACHEKDM4EALDH1A1GLA
SCHEMBL14929703 0.76 ADORA2A (0.60) ADORA2AACHEKDM4EALDH1A1GLA
SCHEMBL3833630 0.76 ADORA2A (0.56) ADORA2AACHEKDM4EALDH1A1GLA
SCHEMBL6276708 0.76 ADORA2A (0.60) ADORA2AKDM4EALDH1A1GLAHPGD
SCHEMBL4913937 0.72 ADORA2A (0.70) ADORA2AACHEKDM4EALDH1A1GLA
SCHEMBL15101407 0.72 GRM2 (0.50) KDM4EALDH1A1RAB9AKMT2ANPC1
SCHEMBL12491743 0.71 CYP1A1 (0.56) ADORA2AACHEKDM4EALDH1A1GLA
SCHEMBL6045368 0.71 KDM4E (0.53) KDM4EALDH1A1CASP1CASP7SMN1; SMN2
SCHEMBL6341548 0.70 ALDH1A1 (0.57) KDM4EALDH1A1HPGDCASP1SMN1; SMN2
SCHEMBL28312221 0.69 ALDH1A1 (0.50) ADORA2AACHEKDM4EALDH1A1HPGD

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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2020-05-14 US disclosed
EP-3641758-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES The Board of Trustees of the Leland Stanford Junior University (US) 2020-04-29 EP disclosed
CN-110996942-A Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats 小利兰.斯坦福大学托管委员会 2020-04-10 CN disclosed
WO-2018236910-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-12-27 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 (1 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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RNMT, RRM2B ADORA2A 1259/4885ACHE 3375/4885KDM4E 3306/4885

“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.