SCHEMBL20157992

SCHEMBL20157992

COc1ccc(C(O)c2ccc(C)cc2Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL20157895 0.89 TOP2A (0.37) TOP2ATOP2BABL1RIN1MAPT
SCHEMBL20157481 0.83 TOP2A (0.39) TOP2ATOP2BABL1RIN1MAPT
SCHEMBL20158083 0.82 TRPA1 (0.34) LMNA
SCHEMBL21550075 0.81 MAPT (0.40) TOP2ATOP2BABL1RIN1MAPT
SCHEMBL21362664 0.81 ABL1 (0.37) ABL1RIN1MAPTL3MBTL1RAB9A
SCHEMBL20158035 0.79 ABL1 (0.36) ABL1RIN1MAPTL3MBTL1RAB9A
SCHEMBL21362648 0.78 ACHE (0.39) TDP1SMN1; SMN2ACHELMNAALDH1A1
SCHEMBL21352139 0.78 MAPT (0.40) ABL1RIN1MAPTL3MBTL1RAB9A
SCHEMBL21362823 0.78 NAAA (0.35) ABL1RIN1MAPTL3MBTL1RAB9A
SCHEMBL28823521 0.75 TOP2A (0.37) TOP2ATOP2BMAPTRAB9AHPGD

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 TOP2A 3871/4885TOP2B 2924/4885ABL1 3429/4885

“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.