SCHEMBL23902153

SCHEMBL23902153

N=C(N)Nc1ccc(OCc2cccc(COc3ccc(NC(=N)N)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.65
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
F10 P00742 1/20 0.54
LTA4H P09960 2/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL17894553 0.90 MAOB (0.61) F2
SCHEMBL4987199 0.89 LTA4H (0.66) LTA4HMEN1CYP1A2CYP2C19KMT2A
SCHEMBL23566298 0.86 PARP10 (0.56) F2PRSS1PRSS2PRSS3LTA4H
SCHEMBL27663855 0.86 MRGPRX4 (0.52) F2F10LTA4H
Trifluoroacetic Acid SCHEMBL17894407 0.81 RXRA (0.55) F2LTA4H
SCHEMBL17894484 0.80 MAOB (0.57) F2PRSS1PRSS2PRSS3LTA4H
SCHEMBL27683541 0.80 PARP10 (0.57) F2PRSS1PRSS2PRSS3LTA4H
Trifluoroacetic Acid SCHEMBL17894392 0.79 LTA4H (0.61) LTA4HMEN1CYP1A2CYP2C19KMT2A
SCHEMBL4028152 0.79 MAPK1 (0.58) F2F10LTA4HMEN1KMT2A
SCHEMBL14543821 0.79 F2 (1.00) F2PRSS1PRSS2PRSS3F10

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.