SCHEMBL21362072

SCHEMBL21362072

CCS(=O)(=O)Cc1cc(-c2cn(C)c(=O)cc2[C@H](C)N[S@@+]([O-])C(C)(C)C)c(C(=O)c2ccc(F)cc2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 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
SCHEMBL20157713 0.92 BRD4 (0.33) BRD4
SCHEMBL21362105 0.89 BRD4 (0.32) BRD4LMNATP53MAPTHTT
SCHEMBL21354474 0.88 BRD4 (0.36) BRD4MAPT
SCHEMBL21351838 0.88 BRD4 (0.36) BRD4MAPT
SCHEMBL21362108 0.88 BRD4 (0.36) BRD4MAPT
SCHEMBL21351835 0.88 BRD4 (0.36) BRD4MAPT
SCHEMBL21362079 0.87 BRD4 (0.37) BRD4LMNATP53MAPTHTT
SCHEMBL21352243 0.87 BRD4 (0.32) BRD4LMNATP53MAPTHTT
SCHEMBL21362174 0.86 BRD4 (0.33) BRD4LMNATP53MAPTHTT
SCHEMBL21362128 0.84 BRD4 (0.36) BRD4

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 BRD4 7/4885LMNA 2333/4885TP53 197/4885

“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.