SCHEMBL23234992

SCHEMBL23234992

CCOC(=O)c1cnc2ccc(Br)cc2c1NCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 1.00
MAPK1 P28482 3/20 0.82
KDM4E B2RXH2 2/20 0.82
HSD17B10 Q99714 1/20 0.82
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
RAD52 P43351 2/20 0.80
ALDH1A1 P00352 2/20 0.71
TSHR P16473 1/20 0.71
POLB P06746 1/20 0.67
UHRF1 Q96T88 1/20 0.67
ATM Q13315 1/20 0.65

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
SCHEMBL23234985 0.95 RXFP1 (1.00) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL23235009 0.92 RXFP1 (0.85) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL20435773 0.91 MEN1 (0.88) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL31087724 0.90 MEN1 (0.89) RXFP1MAPK1KDM4EHSD17B10MEN1
Hydrochloric Acid SCHEMBL31087693 0.89 MEN1 (1.00) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL23234995 0.85 RXFP1 (0.75) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL5329573 0.85 KMT2A (1.00) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL12504994 0.84 RXFP1 (0.80) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL23235039 0.84 MAPK1 (0.72) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL23634687 0.83 RXFP1 (0.74) RXFP1MAPK1KDM4EHSD17B10MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172991-B2 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-12-24 US disclosed
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-08-12 US disclosed
EP-3807248-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF Council of Scientific and Industrial Research (IN) 2021-04-21 EP 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 (2 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-12172991-B2 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof TOP1, TOP2A, TOP2B RXFP1 4661/4885MAPK1 1850/4885KDM4E 2680/4885
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF TOP1, TOP2A, TOP2B RXFP1 4661/4885MAPK1 1850/4885KDM4E 2680/4885

“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.