SCHEMBL20157585

SCHEMBL20157585

COc1ccc(Br)c(C(O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ADRA2A P08913 2/20 0.39
ADRA1A P35348 2/20 0.39
APLNR P35414 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 3/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL11857823 0.89 APLNR (0.44) LMNATHRATHRBMTNR1AMTNR1B
SCHEMBL20157583 0.86 LMNA (0.46) LMNAADRA2AADRA1ACYP2D6KMT2A
SCHEMBL18113374 0.85 LMNA (0.45) LMNAMTNR1AMTNR1BADRA2AADRA1A
SCHEMBL23457049 0.84 ADRA2A (0.47) LMNAADRA2AADRA1AHPGDCYP2D6
SCHEMBL31682604 0.84 ADRA2A (0.47) LMNAADRA2AADRA1AHPGDCYP2D6
SCHEMBL30057731 0.80 AOC3 (0.47) LMNAADRA2AADRA1ACYP2D6MAPK1
SCHEMBL20157837 0.80 ACHE (0.39) LMNATHRATHRBKMT2ANFE2L2
SCHEMBL13427765 0.78 NFE2L2 (0.53) LMNAGAAHPGDCYP2D6KMT2A
SCHEMBL21362021 0.78 ACHE (0.38) LMNATHRATHRBGAANFE2L2
SCHEMBL20157860 0.77 PDE10A (0.38) LMNATHRATHRBGAAKMT2A

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 2333/4885THRA 3960/4885THRB 2103/4885

“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.