SCHEMBL21362260

SCHEMBL21362260

CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)cc2[C@H](C)N[S@@+]([O-])C(C)(C)C)c(C(=O)c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.38
CNR2 P34972 2/20 0.36
BRDT Q58F21 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.31
P2RX3 P56373 1/20 0.31
CCR9 P51686 3/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CCR2 P41597 1/20 0.30
BDKRB1 P46663 1/20 0.30

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
SCHEMBL21362079 0.94 BRD4 (0.37) BRD4MRGPRX1LMNATP53MAPT
SCHEMBL21362159 0.92 BRD4 (0.37) BRD4CNR2BRDTMRGPRX1LMNA
SCHEMBL21362259 0.88 BRD4 (0.37) BRD4CNR2BRDTMRGPRX1P2RX3
SCHEMBL21362205 0.87 BRD4 (0.36) BRD4MRGPRX1LMNATP53MAPT
SCHEMBL21362256 0.86 BRD4 (0.38) BRD4
SCHEMBL21362164 0.85 BRD4 (0.35) BRD4MRGPRX1LMNATP53MAPT
SCHEMBL21362024 0.82 CNR2 (0.36) BRD4CNR2
SCHEMBL21362047 0.82 BRD4 (0.36) BRD4CNR2MRGPRX1P2RX3LMNA
SCHEMBL21352176 0.82 CNR2 (0.34) BRD4CNR2
SCHEMBL21362103 0.82 BRD4 (0.46) BRD4CNR2P2RX3LMNAMAPT

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 7/4885CNR2 503/4885BRDT 9/4885

“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.