SCHEMBL23901864

SCHEMBL23901864

N=C(N)c1ccc(OCc2cccc(COc3ccc(C4=NCCN4)cc3)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
NISCH Q9Y2I1 3/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
F10 P00742 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
SCHEMBL23566306 0.89 NISCH (0.54) NISCHMAOBHRH3
Hydrochloric Acid SCHEMBL23880706 0.88 NISCH (0.52) NISCHMAOBHRH3
SCHEMBL23901867 0.83 F10 (0.43) F2NISCHF10
SCHEMBL23901788 0.82 NISCH (0.50) NISCHMAOBHRH3
SCHEMBL23566031 0.81 F2 (0.76) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23235877 0.81 NISCH (0.49) NISCHMAOBHRH3
SCHEMBL23902198 0.81 MAOB (0.46) PRSS1NISCHMAOBF10
SCHEMBL23902298 0.81 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23235786 0.80 PRSS1 (0.73) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL14629685 0.80 PRSS1 (0.54) F2PRSS1ST14NISCHHRH3

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 F2 1488/4885PRSS1 652/4885PRSS2 1318/4885

“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.