SCHEMBL23902102

SCHEMBL23902102

c1cc(CNc2ccc(C3=NCCCN3)cc2)cc(CNc2ccc(C3=NCCN3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
TOP2A P11388 2/20 0.46
TOP2B Q02880 2/20 0.46
PPARG P37231 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL23901858 0.97 NISCH (0.53) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23901860 0.95 NISCH (0.54) NISCHPPARGACHE
SCHEMBL23902290 0.87 NISCH (0.50) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23901774 0.84 NISCH (0.53) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902307 0.81 NISCH (0.60) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23901771 0.81 NISCH (0.55) NISCHACHE
SCHEMBL23901785 0.78 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902114 0.75 NISCH (0.67) NISCHTOP2ATOP2B
SCHEMBL23901776 0.75 NISCH (0.42) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13327264 0.73 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B

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 NISCH 24/4885GAA 885/4885TSHR 1561/4885

“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.