SCHEMBL23901797

SCHEMBL23901797

CCN1CCN=C1c1ccc(OCc2cccc(COc3ccc(C4=NCCN4CC)cc3OC)c2F)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
PIK3CG P48736 2/20 0.39
PTAFR P25105 1/20 0.39
MAPT P10636 3/20 0.38
PTGS2 P35354 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23902324 0.89 TOP2A (0.43) TOP2ATOP2BPTGS2MRGPRX4HSD17B10
SCHEMBL23901896 0.87 PIK3CG (0.40) PIK3CGPTAFRMAPTPTGS2MRGPRX4
SCHEMBL23902205 0.85 PIK3CG (0.39) PIK3CGPTAFRMAPTPTGS2NPC1
SCHEMBL23902301 0.82 TOP2A (0.50) TOP2ATOP2BNPC1RAB9ASMN1; SMN2
SCHEMBL23902338 0.81 TOP2A (0.43) TOP2ATOP2BPTAFRMAPTNPC1
SCHEMBL23901888 0.76 PTGS2 (0.40) PTGS2NPC1RAB9AMRGPRX4GAA
SCHEMBL23566307 0.75 NISCH (0.50) KDM4E
SCHEMBL23901890 0.74 PTGS2 (0.39) PTGS2NPC1RAB9AMRGPRX4HSD17B10
Hydrochloric Acid SCHEMBL23880715 0.74 NISCH (0.49) KDM4E
SCHEMBL23901804 0.73 RUVBL1 (0.44) PIK3CGMAPTGAATSHR

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 1295/4885PIK3CG 3575/4885

“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.