SCHEMBL23880709

SCHEMBL23880709

O=C(O)N1CCN=C1c1ccc(COc2cccc(O)c2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.37
THRB P10828 1/20 0.35
HPD P32754 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL23235875 0.87 GPR119 (0.36) PTGER1THRBHPDPSEN1PSEN2
SCHEMBL23235870 0.86 PTGER1 (0.44) PTGER1PSEN1PSEN2APH1BNCSTN
SCHEMBL23235785 0.85 FFAR1 (0.40) PTGER1THRB
SCHEMBL23902333 0.76 PTGS2 (0.36) THRB
SCHEMBL34433851 0.75 PTGER1 (0.40) PTGER1PSEN1PSEN2APH1BNCSTN
SCHEMBL23235769 0.75 PTGER1 (0.40) PTGER1PSEN1PSEN2APH1BNCSTN
SCHEMBL23235887 0.74 TLR9 (0.40) PTGER1
SCHEMBL6689053 0.73 PTGS2 (0.50) THRBMAPT
SCHEMBL23901888 0.66 PTGS2 (0.40)
SCHEMBL23901891 0.66 NISCH (0.51)

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 PTGER1 2639/4885THRB 1392/4885HPD 3515/4885

“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.