SCHEMBL21998619

SCHEMBL21998619

Brc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.68
CYP2D6 P10635 2/20 0.67
KCNH2 Q12809 1/20 0.60
DHODH Q02127 1/20 0.56
MAPT P10636 4/20 0.52
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.47
BRD3 Q15059 2/20 0.47
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
CDC42 P60953 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PRMT5 O14744 1/20 0.44

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
SCHEMBL5394699 0.99 RB1 (0.69) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL5456571 0.89 RB1 (0.69) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4160937 0.87 CYP2D6 (0.67) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4163592 0.87 CYP2D6 (0.67) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4195660 0.87 CYP2D6 (0.67) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4196044 0.87 CYP2D6 (0.67) RB1CYP2D6KCNH2DHODHMAPT
Hydrochloric Acid SCHEMBL4148242 0.86 CYP2D6 (0.65) RB1CYP2D6KCNH2DHODHMAPT
Hydrochloric Acid SCHEMBL4165683 0.86 CYP2D6 (0.65) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL4163867 0.84 CYP2D6 (0.70) RB1CYP2D6KCNH2DHODHMAPT
SCHEMBL22135864 0.84 CYP2D6 (0.70) RB1CYP2D6KCNH2DHODHMAPT

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 RB1 903/4885CYP2D6 3849/4885KCNH2 4403/4885

“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.