SCHEMBL20157285

SCHEMBL20157285

Cn1cc(Br)c(CNC(=O)OC(C)(C)C)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KDM4A O75164 1/20 0.39
KCNA5 P22460 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL20157341 0.84 KDM4E (0.40) HDAC10HDAC6KDM4ELMNAKDM4A
SCHEMBL21362755 0.78 KCNA5 (0.37) HDAC10HDAC6KDM4ELMNAKDM4A
SCHEMBL21220977 0.77 CNR2 (0.41) HDAC6CA12CA1CA9MEN1
SCHEMBL20157334 0.77 PRMT5 (0.48) HDAC10HDAC6KDM4ELMNAKDM4A
SCHEMBL21352022 0.76 POLB (0.33) KDM4EPOLBGAA
SCHEMBL21362444 0.76 PRMT5 (0.43) HDAC10HDAC6KDM4ELMNAKDM4A
SCHEMBL18719605 0.75 KDM4A (0.45) HDAC10HDAC6KDM4AKCNA5NPC1
SCHEMBL339442 0.74 NAMPT (0.40) HDAC10HDAC6KDM4ELMNAKDM4A
SCHEMBL13837691 0.74 NAMPT (0.47) HDAC10HDAC6KDM4ELMNAKDM4A
SCHEMBL31705342 0.74 KDM4A (0.44) HDAC10HDAC6KDM4AKCNA5CA12

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 4 patents. 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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO 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 HDAC10 591/4885HDAC6 1106/4885KDM4E 2994/4885

“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.