SCHEMBL20157798

SCHEMBL20157798

Cc1ccc(C(=O)c2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 3/20 0.48
TP53 P04637 2/20 0.46
SRD5A2 P31213 1/20 0.45
NR4A1 P22736 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10599055 0.86 SRD5A2 (0.54) MAPTCES2CES1NPC1MAPK1
SCHEMBL20157816 0.85 MAPT (0.51) MAPTNPC1MAPK1HTTKMT2A
SCHEMBL10877792 0.84 FLT1 (0.55) MAPTCES2CES1NPC1MAPK1
SCHEMBL20157547 0.83 MAPT (0.50) MAPTNPC1MAPK1HTTKMT2A
SCHEMBL7213795 0.83 MAPT (0.53) MAPTCES2CES1NPC1MAPK1
SCHEMBL30882570 0.83 MAPT (0.53) MAPTCES2CES1NPC1MAPK1
SCHEMBL7271917 0.83 SRD5A2 (0.60) MAPTCES2CES1NPC1MAPK1
SCHEMBL21550127 0.82 SMN1; SMN2 (0.50) MAPTNPC1MAPK1HTTKMT2A
SCHEMBL27774516 0.82 MAPT (0.44) MAPTNPC1MAPK1HTTKMT2A
SCHEMBL9002496 0.81 MEN1 (0.56) MAPTCES2CES1NPC1MAPK1

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 MAPT 237/4885CES2 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.