SCHEMBL23901893

SCHEMBL23901893

COc1cc(C(=N)N)ccc1COc1cc(C)cc(OCc2ccc(C(=N)N)cc2OC)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.52
HDAC8 Q9BY41 1/20 0.47
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
F2 P00734 3/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
F10 P00742 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLAU P00749 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
Hydrochloric Acid SCHEMBL23880725 0.99 PRSS1 (0.53) PRSS1HDAC8PRSS2PRSS3F2
SCHEMBL23901909 0.85 F2 (0.49) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL34433858 0.85 F2 (0.49) PRSS1PRSS2PRSS3F2TMPRSS6
Hydrochloric Acid SCHEMBL23235778 0.84 HDAC8 (0.43) PRSS1HDAC8F2F10MEN1
Hydrochloric Acid SCHEMBL23235864 0.83 F2 (0.48) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL23902344 0.82 F2 (0.47) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL23902204 0.77 PRSS1 (0.51) PRSS1PRSS2PRSS3F2F10
SCHEMBL23566303 0.77 F2 (0.70) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL23902269 0.77 PRSS1 (0.50) PRSS1PRSS2PRSS3F10PLAU
SCHEMBL34433861 0.77 PRSS1 (0.50) PRSS1PRSS2PRSS3F10PLAU

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 PRSS1 652/4885HDAC8 1398/4885PRSS2 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.