SCHEMBL20158044

SCHEMBL20158044

CCS(=O)(=O)Cc1ccc(C(=O)c2cc(OC)c(F)cc2Cl)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PYGL P06737 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ACHE P22303 1/20 0.34
SCN9A Q15858 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL20158038 0.85 CYP4F2 (0.40) NPC1MAPTRAB9AKDM4EMITF
SCHEMBL21352105 0.83 ACHE (0.47) MAPTRAB9AKDM4EMITFALDH1A1
SCHEMBL20157679 0.83 ALDH1A1 (0.40) MAPTALDH1A1ACHE
SCHEMBL20158025 0.82 NPC1 (0.42) NPC1MAPTRAB9AKDM4EPYGL
SCHEMBL20157769 0.82 HPGD (0.39) NPC1RAB9AALDH1A1PYGL
SCHEMBL20157956 0.81 UCHL1 (0.34) NPC1MAPTRAB9AKDM4EMITF
SCHEMBL21557859 0.81 ALDH1A1 (0.40) MAPTRAB9AALDH1A1ACHE
SCHEMBL20157333 0.80 MAOB (0.38) NPC1RAB9AKDM4EALDH1A1
SCHEMBL21550050 0.79 SMN1; SMN2 (0.42) MAPTRAB9AKDM4EALDH1A1
SCHEMBL20158043 0.79 RAB9A (0.41) NPC1MAPTRAB9AALDH1A1HTT

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.