SCHEMBL23901788

SCHEMBL23901788

Fc1c(COc2ccc(C3=NCCCN3)cc2)cccc1COc1ccc(C2=NCCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
TOP2A P11388 3/20 0.46
TOP2B Q02880 3/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MAOB P27338 1/20 0.44

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 SCHEMBL23235877 0.99 NISCH (0.49) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23566306 0.92 NISCH (0.54) NISCHHRH3MAOB
Hydrochloric Acid SCHEMBL23880706 0.91 NISCH (0.52) NISCHTOP2ATOP2BHRH3MAOB
SCHEMBL23902174 0.83 NISCH (0.43) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL23235890 0.82 NISCH (0.42) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23901864 0.82 F2 (0.51) NISCHHRH3MAOB
SCHEMBL23901804 0.80 RUVBL1 (0.44) NISCHGAATSHRMAOB
Hydrochloric Acid SCHEMBL23880716 0.79 RUVBL1 (0.44) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902297 0.79 NISCH (0.53) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL23880727 0.78 NISCH (0.51) 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.