SCHEMBL20158038

SCHEMBL20158038

COc1cc(C(=O)c2ccc(CBr)cc2Br)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ACHE P22303 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
PYGL P06737 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL21362819 0.87 ACHE (0.40) CYP4F2CYP4A11ACHENPC1RAB9A
SCHEMBL20157984 0.87 NPC1 (0.38) ACHENPC1RAB9AMAPTHTT
SCHEMBL20158044 0.85 NPC1 (0.35) ACHENPC1RAB9AMAPTHTT
SCHEMBL20158043 0.84 RAB9A (0.41) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL20158041 0.81 RAB9A (0.39) NPC1RAB9AMAPTHTTKDM4E
SCHEMBL20157608 0.81 ALDH1A1 (0.44) ACHEALDH1A1
SCHEMBL20158040 0.81 ACHE (0.54) ACHERAB9AMAPTHTTKDM4E
SCHEMBL20157512 0.80 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1LCK
SCHEMBL21362666 0.80 RAB9A (0.38) NPC1RAB9AMAPTHTTKDM4E
SCHEMBL21352128 0.78 HPGD (0.43) CYP4F2CYP4A11NPC1RAB9AALDH1A1

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 CYP4F2 2289/4885CYP4A11 510/4885ACHE 4557/4885

“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.