SCHEMBL23901780

SCHEMBL23901780

N=C(N)c1ccc(CNc2cccc(NCc3ccc(C4=NCCN4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
NISCH Q9Y2I1 6/20 0.44
ACHE P22303 1/20 0.44
F10 P00742 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
UBE2N P61088 2/20 0.41
PAX8 Q06710 1/20 0.41
LMNA P02545 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL23901776 0.94 NISCH (0.42) FDPSNISCHACHEF10F2
SCHEMBL23901771 0.88 NISCH (0.55) FDPSNISCHACHELMNA
SCHEMBL23902290 0.83 NISCH (0.50) FDPSNISCHACHE
SCHEMBL23902159 0.81 NISCH (0.52) FDPSNISCHF10F2
SCHEMBL23901774 0.81 NISCH (0.53) FDPSNISCHACHE
SCHEMBL23902299 0.79 NISCH (0.48) FDPSNISCHF10
SCHEMBL23902298 0.78 F2 (0.54) F2PRSS1
SCHEMBL23901860 0.76 NISCH (0.54) NISCHACHELMNA
SCHEMBL23902266 0.75 NISCH (0.53) NISCH
SCHEMBL23902145 0.74 MAOB (0.48) FDPSNISCHF10LMNA

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 FDPS 2233/4885NISCH 24/4885ACHE 3667/4885

“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.