SCHEMBL20157412

SCHEMBL20157412

COc1ccc(C(=O)c2ccc(CBr)cc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ACHE P22303 1/20 0.48
HTT P42858 4/20 0.48
GSK3B P49841 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL1252259 0.84 NPC1 (0.55) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL20157960 0.84 SRD5A2 (0.49) NPC1MAPTRAB9AMAPK1LMNA
SCHEMBL20157411 0.83 NPC1 (0.48) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL20157918 0.83 MAPT (0.48) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL5591858 0.81 RAB9A (0.65) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL20157609 0.81 ALDH1A1 (0.46) NPC1MAPTKMT2AACHEGAA
SCHEMBL20157414 0.81 NPC1 (0.58) NPC1MAPTRAB9ANPSR1KMT2A
SCHEMBL20157560 0.81 PTPN1 (0.43) NPC1MAPTKMT2AMAPK1LMNA
SCHEMBL20157297 0.81 GSK3B (0.43) MAPTRAB9ANPSR1KMT2AMAPK1
SCHEMBL21550017 0.80 ALDH1A1 (0.44) NPC1MAPTRAB9ALMNAACHE

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 NPC1 698/4885MAPT 237/4885RAB9A 4201/4885

“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.