SCHEMBL20157718

SCHEMBL20157718

O=C(c1ccc(F)cc1)c1cc(Cl)c(C(Br)Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.38
LTA4H P09960 1/20 0.36
RXRA P19793 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALPG P10696 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SRD5A2 P31213 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
PTPN1 P18031 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
SCHEMBL20157720 0.86 MAPT (0.44) RXRALMNAKMT2AMAPTHTT
SCHEMBL21352180 0.85 LTA4H (0.38) LTA4HRXRALMNAKMT2AHTT
SCHEMBL20157505 0.83 RXRA (0.38) LTA4HRXRALMNAKMT2ATP53
SCHEMBL21351885 0.80 MDM2 (0.35) MDM2RXRALMNAKMT2ATP53
SCHEMBL21351881 0.80 ALDH1A1 (0.43) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL20157680 0.79 POLB (0.42) LTA4HRXRAMAPTHTTALDH1A1
SCHEMBL20157704 0.79 NPC1 (0.44) LTA4HRXRALMNAKMT2ATP53
SCHEMBL20157993 0.77 PTPN1 (0.40) LTA4HRXRALMNAKMT2ATP53
SCHEMBL21550016 0.75 HPGD (0.42) LMNAKMT2ATP53ALDH1A1CES2
SCHEMBL20157556 0.75 LMNA (0.44) LTA4HRXRALMNAKMT2ATP53

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 MDM2 752/4885LTA4H 3766/4885RXRA 2575/4885

“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.