SCHEMBL20158035

SCHEMBL20158035

COc1cc(C(O)c2ccc(C)cc2Br)c(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
MAPT P10636 6/20 0.34
HPGD P15428 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
CRHR1 P34998 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 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
SCHEMBL21362664 0.87 ABL1 (0.37) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL20157992 0.79 TOP2A (0.40) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL20157895 0.79 TOP2A (0.37) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL21352139 0.79 MAPT (0.40) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL20157925 0.78 ALDH1A1 (0.36) MAPTALDH1A1LMNAACHE
SCHEMBL21550075 0.76 MAPT (0.40) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL20158171 0.75 LMNA (0.41) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL21564708 0.75 LMNA (0.43) MAPTSMN1; SMN2RAB9AMEN1POLB
SCHEMBL21550051 0.74 ALDH1A1 (0.38) MAPTHPGDSMN1; SMN2TDP1NPC1
SCHEMBL21550077 0.74 TRPA1 (0.33) MAPTSMN1; SMN2RAB9AMEN1KMT2A

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 ABL1 3429/4885RIN1 788/4885MAPT 237/4885

“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.