SCHEMBL20157560

SCHEMBL20157560

O=C(c1ccc(F)cc1)c1ccc(CBr)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
S1PR1 P21453 1/20 0.39
LTA4H P09960 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
SRD5A2 P31213 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL20157898 0.88 PTPN1 (0.43) PTPN1CES2CES1S1PR1LTA4H
SCHEMBL20157516 0.86 ALDH1A1 (0.48) CES2CES1LMNASMN1; SMN2HTT
SCHEMBL20157523 0.85 CES2 (0.39) PTPN1CES2CES1S1PR1LTA4H
SCHEMBL20157960 0.84 SRD5A2 (0.49) CES2CES1LMNAHTTSRD5A2
SCHEMBL20157297 0.84 GSK3B (0.43) CES2CES1SRD5A2MAPK1MAPT
SCHEMBL11860220 0.83 LTA4H (0.46) PTPN1CES2CES1LTA4HLMNA
SCHEMBL20157777 0.83 CES2 (0.47) CES2CES1HTTKMT2A
SCHEMBL20157757 0.82 LMNA (0.50) PTPN1CES2CES1S1PR1LMNA
SCHEMBL21351905 0.81 CA2 (0.41) S1PR1LMNASMN1; SMN2HTTNPC1
SCHEMBL20157557 0.81 PTPN1 (0.39) PTPN1CES2CES1S1PR1LMNA

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 PTPN1 4699/4885CES2 4434/4885CES1 4011/4885

“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.