SCHEMBL20157281

SCHEMBL20157281

N#Cc1cc(O)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM4 Q14833 1/20 0.38
HTT P42858 1/20 0.37
GPR35 Q9HC97 3/20 0.37
XDH P47989 1/20 0.36
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
UPP1 Q16831 1/20 0.31
SYK P43405 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
SCHEMBL338485 0.75 HTT (0.46) KMT2AGRM4HTTABL1KDR
SCHEMBL19837301 0.75 HTT (0.37) MEN1TTRALBKMT2AGRM4
SCHEMBL12055453 0.75 MBOAT4 (0.39) MEN1KMT2AGRM4HTTGPR35
SCHEMBL30868505 0.75 HTT (0.46) KMT2AGRM4HTTABL1KDR
SCHEMBL19517506 0.75 GRM4 (0.41) GRM4HTTABL1KDRMBOAT4
SCHEMBL465150 0.74 XDH (0.38) XDHABL1KDREGFRERBB2
Hydrochloric Acid SCHEMBL19837337 0.73 GRM4 (0.37) GRM4HTTGPR35ABL1KDR
SCHEMBL19837472 0.73 GRM4 (0.40) GRM4HTTABL1KDRMBOAT4
SCHEMBL11744305 0.71 S1PR2 (0.40) XDHKDREGFRERBB2UPP1
SCHEMBL23089666 0.71 GRM4 (0.42) GRM4XDHABL1

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 5 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
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 MEN1 1304/4885TTR 4224/4885ALB 4306/4885

“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.