SCHEMBL28537451

SCHEMBL28537451

O=C(N1CCCC1c1ccccc1Br)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.48
PPIB P23284 1/20 0.48
PPIG Q13427 1/20 0.48
RIPK1 Q13546 4/20 0.48
SCD5 Q86SK9 1/20 0.45
BACE1 P56817 1/20 0.44
TERT O14746 1/20 0.40
RBP4 P02753 1/20 0.40
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL23064471 1.00 PPID (0.48) PPIDPPIBPPIGRIPK1SCD5
SCHEMBL28532906 0.83 PPID (0.53) PPIDPPIBPPIGRIPK1SCD5
SCHEMBL2330771 0.82 PPID (0.52) PPIDPPIBPPIGRIPK1SCD5
SCHEMBL28535098 0.81 RIPK1 (0.46) RIPK1TERTRBP4HSP90AA1HSP90AB1
SCHEMBL28535096 0.81 RIPK1 (0.46) RIPK1TERTRBP4HSP90AA1HSP90AB1
SCHEMBL31525016 0.80 RIPK1 (0.45) RIPK1TERTRBP4HSP90AA1HSP90AB1
SCHEMBL1576663 0.80 RIPK1 (0.73) RIPK1SCD5HSP90AA1HSP90AB1
SCHEMBL3312132 0.78 NR1H2 (0.57) PPIDPPIBPPIGRIPK1SCD5
SCHEMBL3313724 0.78 NR1H2 (0.57) PPIDPPIBPPIGRIPK1SCD5
SCHEMBL2325712 0.78 NR1H2 (0.57) PPIDPPIBPPIGRIPK1SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376104-A1 Bcl-2 Inhibitors BEIGENE LTD. (KY) 2024-11-14 US disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN 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-20240376104-A1 Bcl-2 Inhibitors BCL2, BCL2L1, BCL2L2 PPID 762/4885PPIB 389/4885PPIG 460/4885

“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.