SCHEMBL23327587

SCHEMBL23327587

N=C(N)NC(N)(N)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL17030065 0.77 HMGCR (0.42) CYP2C19KDM4EALDH1A1HMGCRCHRM1
SCHEMBL18553616 0.76 CYP2C19 (0.32) CYP2C19KDM4EALDH1A1HMGCRCHRM1
SCHEMBL23779765 0.72 ACLY (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL23586671 0.72 KDM4E (0.33) CYP2C19KDM4EALDH1A1HMGCRCHRM1
SCHEMBL1560751 0.67 MEN1 (0.41) KDM4EALDH1A1
SCHEMBL20572071 0.66 DGAT1 (0.36) CYP2C19KDM4EHMGCRCHRM1TBXA2R
SCHEMBL508182 0.65 CYP2C19 (0.33) CYP2C19ALDH1A1
SCHEMBL5275977 0.65 MEN1 (0.35) ALDH1A1
SCHEMBL10056337 0.65 HMGCR (0.44) CYP2C19KDM4EALDH1A1HMGCRCHRM1
SCHEMBL3498204 0.65 NAALAD2 (0.33) ALDH1A1TSHR

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-20210138025-A1 CATIONIC PEPTIDES WITH IMMUNOMODULATORY AND/OR ANTI-BIOFILM ACTIVITIES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-05-13 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-20210138025-A1 CATIONIC PEPTIDES WITH IMMUNOMODULATORY AND/OR ANTI-BIOFILM ACTIVITIES ARG1, LGALS3BP, MIF CYP2C19 4864/4885KDM4E 3870/4885ALDH1A1 4740/4885

“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.