SCHEMBL21362018

SCHEMBL21362018

CCCC[S@+]([O-])N[C@@H](C)c1cc(=O)n(C)cc1-c1ccccc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CNR2 P34972 10/20 0.38
P2RX3 P56373 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR4A1 P22736 1/20 0.32

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
SCHEMBL21362122 0.86 MEN1 (0.32) BRD4CNR2P2RX3KMT2A
SCHEMBL21362259 0.84 BRD4 (0.37) BRD4CNR2P2RX3
SCHEMBL21362563 0.84 BRD4 (0.53) BRD4CNR2P2RX3KMT2AKDM4E
SCHEMBL21362103 0.84 BRD4 (0.46) BRD4CNR2P2RX3KMT2AKDM4E
SCHEMBL21362169 0.83 BRD4 (0.36) BRD4CNR2KMT2A
SCHEMBL21362192 0.83 PSEN1 (0.32) BRD4CNR2
SCHEMBL21362086 0.81 BRD4 (0.34) BRD4CNR2KMT2AKCNH2
SCHEMBL21362559 0.80 BRD4 (0.52) BRD4CNR2P2RX3KMT2AKDM4E
SCHEMBL21362147 0.79 BRD4 (0.31) BRD4CNR2
SCHEMBL21352026 0.76 BRD4 (0.48) BRD4CNR2P2RX3KMT2AKDM4E

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 503/4885P2RX3 4474/4885

“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.