SCHEMBL20157652

SCHEMBL20157652

COc1ccc(CNc2cc(Br)c(C(=O)c3ccc(F)cc3)cc2F)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
NPC1 O15118 3/20 0.44
PPARG P37231 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
APLNR P35414 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL20157981 0.92 POLB (0.50) KDM4CNPC1MAPTL3MBTL1ALDH1A1
SCHEMBL21555619 0.87 KDM4C (0.47) KDM4CNPC1PPARGHDAC3HDAC1
SCHEMBL20157358 0.86 KDM4C (0.60) KDM4CMAPTL3MBTL1ALDH1A1GAA
SCHEMBL20157655 0.83 MAPT (0.55) KDM4CMAPTL3MBTL1ALDH1A1GAA
SCHEMBL21351883 0.79 KDM4C (0.51) KDM4CHDAC3HDAC1HDAC2MAPT
SCHEMBL14994042 0.79 KDM4E (0.50) KDM4CL3MBTL1ALDH1A1GAAHSD17B10
SCHEMBL20157455 0.79 APLNR (0.49) KDM4CNPC1MAPTL3MBTL1ALDH1A1
SCHEMBL21362495 0.78 APLNR (0.51) KDM4CNPC1MAPTL3MBTL1ALDH1A1
SCHEMBL20157651 0.78 APLNR (0.41) KDM4CHDAC3HDAC1HDAC2HDAC6
SCHEMBL20157650 0.78 APLNR (0.51) KDM4CNPC1HDAC3HDAC1HDAC2

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 KDM4C 1978/4885NPC1 698/4885PPARG 1208/4885

“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.