SCHEMBL21362047

SCHEMBL21362047

CCCCC(=O)N[C@@H](C)c1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)c(Cl)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CNR2 P34972 2/20 0.31
GAA P10253 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
P2RX3 P56373 1/20 0.31
PRCP P42785 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL21362259 0.85 BRD4 (0.37) BRD4CNR2MRGPRX1P2RX3PSEN1
SCHEMBL21362260 0.82 BRD4 (0.38) BRD4KMT2ALMNACNR2MRGPRX1
SCHEMBL21362078 0.80 BRD4 (0.36) BRD4KMT2AKDM4ELMNAMRGPRX1
SCHEMBL21362169 0.78 BRD4 (0.36) BRD4KMT2ALMNACNR2MRGPRX1
SCHEMBL21362079 0.76 BRD4 (0.37) BRD4KMT2ALMNAMRGPRX1
SCHEMBL21362045 0.76 BRD4 (0.35) BRD4KMT2AKDM4ELMNAMRGPRX1
SCHEMBL21362159 0.75 BRD4 (0.37) BRD4KMT2ALMNACNR2MRGPRX1
SCHEMBL21362182 0.74 BRD4 (0.34) BRD4KMT2ALMNA
SCHEMBL20157653 0.73 BRD4 (0.38) BRD4
SCHEMBL21362040 0.73 BRD4 (0.34) BRD4ALDH1A1CNR2GAA

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 7/4885MEN1 1304/4885KMT2A 1082/4885

“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.