SCHEMBL20158073

SCHEMBL20158073

O=C(c1ccncc1)c1ccc(CBr)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CCR9 P51686 3/20 0.42
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LTA4H P09960 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CYP17A1 P05093 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL20157560 0.81 PTPN1 (0.43) LMNAKMT2AMEN1HDAC1HDAC6
SCHEMBL20157297 0.81 GSK3B (0.43) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL20157960 0.81 SRD5A2 (0.49) LMNACES2CES1ALDH1A1MAPT
SCHEMBL21351995 0.80 CCR9 (0.47) LMNACCR9KMT2AKDM4EMEN1
SCHEMBL21362184 0.80 CCR9 (0.42) LMNACCR9KMT2AKDM4EMEN1
SCHEMBL21550066 0.79 CYP4F2 (0.38) LMNASMN1; SMN2
SCHEMBL20157472 0.78 CES2 (0.38) KMT2AKDM4EMEN1CES2CES1
SCHEMBL20157412 0.78 NPC1 (0.54) LMNAKMT2AMEN1HDAC1HDAC6
SCHEMBL20157966 0.78 LMNA (0.49) LMNACCR9KMT2AMEN1LTA4H
SCHEMBL1018494 0.74 PTPN1 (0.47) KMT2AKDM4ELTA4HCES2CES1

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 LMNA 2333/4885CCR9 2718/4885KMT2A 1082/4885

“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.