SCHEMBL23901944

SCHEMBL23901944

CCN1CCN=C1c1ccc(OCc2cc(C)cc(COc3ccc(C4=NCCN4CC)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
PARP10 Q53GL7 1/20 0.39
F10 P00742 3/20 0.39
NPC1 O15118 3/20 0.37
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL23902259 0.85 PARP10 (0.41) PARP10F10NPC1GRM5RAB9A
SCHEMBL23902321 0.84 TOP2A (0.45) TOP2ATOP2BF10MEN1KMT2A
SCHEMBL23902338 0.82 TOP2A (0.43) TOP2ATOP2BNPC1RAB9AKDM4E
SCHEMBL23902282 0.82 TOP2A (0.56) TOP2ATOP2BF10ALDH1A1
SCHEMBL23902286 0.81 MMP2 (0.41) PARP10NPC1RAB9AHRH3MMP1
Hydrochloric Acid SCHEMBL23880710 0.81 TOP2A (0.57) TOP2ATOP2BF10ALDH1A1
SCHEMBL14029060 0.78 TOP2A (0.77) TOP2ATOP2BF10
SCHEMBL23902301 0.77 TOP2A (0.50) TOP2ATOP2BF10NPC1RAB9A
SCHEMBL23880701 0.76 PARP10 (0.42) PARP10HRH3MMP1MMP2MMP9
SCHEMBL23902253 0.74 TOP2A (0.47) TOP2ATOP2BF10ALDH1A1

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 1295/4885PARP10 1888/4885

“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.