SCHEMBL23902178

SCHEMBL23902178

Cc1cc(COc2ccc(C3=NCCN3C(C)C)cc2C)cc(COc2ccc(C3=NCCN3C(C)C)cc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
FFAR1 O14842 2/20 0.38
MRGPRX4 Q96LA9 3/20 0.35
CD274 Q9NZQ7 2/20 0.32
PRMT5 O14744 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
SRC P12931 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MAPT P10636 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
SCHEMBL23901813 0.89 NPC1 (0.39) PDE4APDE4BPDE4CPDE4DSRC
SCHEMBL23902286 0.85 MMP2 (0.41) MMP1MMP2MMP9ESR1SRC
SCHEMBL23901806 0.85 FFAR4 (0.40) FFAR4FFAR1MRGPRX4PRMT5ESR1
SCHEMBL23902321 0.83 TOP2A (0.45) FFAR4FFAR1MRGPRX4PRMT5ESR1
SCHEMBL23901847 0.79 ALDH1A1 (0.34)
Hydrochloric Acid SCHEMBL23235764 0.78 ALDH1A1 (0.33)
SCHEMBL23902224 0.77 PTAFR (0.39)
Hydrochloric Acid SCHEMBL23880733 0.76 PTAFR (0.38)
SCHEMBL23902202 0.74 NPC1 (0.41) MAPT
SCHEMBL23901934 0.71 NISCH (0.49) FFAR4FFAR1

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 FFAR4 2035/4885FFAR1 2920/4885MRGPRX4 546/4885

“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.