SCHEMBL21998616

SCHEMBL21998616

CCCOc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.54
CDC42 P60953 1/20 0.51
GAA P10253 1/20 0.48
CASP6 P55212 1/20 0.48
CYP2D6 P10635 2/20 0.46
KCNH2 Q12809 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
BRD3 Q15059 5/20 0.43
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
RB1 P06400 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21998617 0.90 PRMT5 (0.57) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL4191219 0.88 SIRT1 (0.57) PRMT5CDC42GAACASP6CYP2D6
Hydrochloric Acid SCHEMBL4161906 0.87 SIRT1 (0.56) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL21996536 0.85 GAA (0.67) PRMT5CDC42GAACASP6SIRT1
SCHEMBL22135890 0.83 CDC42 (0.56) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL22135891 0.83 CDC42 (0.56) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL21998621 0.83 CYP2D6 (0.53) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL5456604 0.82 GAA (0.69) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL21996145 0.82 RB1 (0.58) PRMT5CDC42GAACASP6CYP2D6
SCHEMBL21996131 0.81 RB1 (0.58) PRMT5CDC42GAACASP6CYP2D6

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 1 patent. 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

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 PRMT5 691/4885CDC42 1897/4885GAA 1007/4885

“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.