SCHEMBL23901831

SCHEMBL23901831

CCOC(=N)c1ccc(OCc2cc(C)cc(COc3ccc(C(=N)OCC)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.56
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
F2 P00734 5/20 0.48
MAOB P27338 3/20 0.47
PTPRC P08575 1/20 0.46
PTPRF P10586 1/20 0.46
PTPN1 P18031 1/20 0.46
DGAT1 O75907 1/20 0.45
TMPRSS6 Q8IU80 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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 SCHEMBL23235790 0.98 PARP10 (0.55) PARP10PRSS1PRSS2PRSS3F2
SCHEMBL14280106 0.83 MAOB (0.58) PARP10PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL26633553 0.82 MAOB (0.56) PARP10PRSS1PRSS2PRSS3F2
SCHEMBL23566019 0.81 PRSS1 (0.84) PARP10PRSS1PRSS2PRSS3F2
SCHEMBL23902235 0.80 NPC1 (0.49) PRSS1F2MAPTMAPK1
Hydrochloric Acid SCHEMBL23235822 0.80 PRSS1 (0.81) PARP10PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL23541197 0.80 PRSS1 (0.81) PARP10PRSS1PRSS2PRSS3F2
SCHEMBL23901931 0.79 PARP10 (0.56) PARP10PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL23880735 0.78 DGAT1 (0.44) PARP10PRSS1F2PTPN1DGAT1
SCHEMBL23566457 0.77 PARP10 (0.51) PARP10PRSS1PRSS2PRSS3F2

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 PARP10 1888/4885PRSS1 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.