SCHEMBL23902253

SCHEMBL23902253

CCN1CCN=C1c1ccc(CCc2cc(C)cc(CCc3ccc(C4=NCCN4CC)cc3C)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
F10 P00742 5/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PTAFR P25105 3/20 0.31

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 SCHEMBL23235851 0.99 TOP2A (0.48) TOP2ATOP2BALDH1A1RECQLF10
SCHEMBL23902282 0.86 TOP2A (0.56) TOP2ATOP2BALDH1A1RECQLF10
SCHEMBL23902315 0.85 ALDH1A1 (0.36) ALDH1A1RECQLF10CRHBPCRHR2
Hydrochloric Acid SCHEMBL23880710 0.85 TOP2A (0.57) TOP2ATOP2BALDH1A1RECQLF10
Hydrochloric Acid SCHEMBL23235772 0.84 ALDH1A1 (0.35) TOP2ATOP2BALDH1A1RECQLF10
SCHEMBL23901847 0.82 ALDH1A1 (0.34) ALDH1A1RECQLPTAFR
Hydrochloric Acid SCHEMBL23235764 0.81 ALDH1A1 (0.33) ALDH1A1RECQLPTAFR
SCHEMBL23902321 0.79 TOP2A (0.45) TOP2ATOP2BF10
SCHEMBL23901944 0.74 TOP2A (0.51) TOP2ATOP2BALDH1A1F10
SCHEMBL14029060 0.73 TOP2A (0.77) TOP2ATOP2BF10PTAFR

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 TOP2A 405/4885TOP2B 1295/4885ALDH1A1 4745/4885

“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.