SCHEMBL20157655

SCHEMBL20157655

CCOC(=O)c1cc(F)c(NCc2ccc(OC)cc2OC)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APLNR P35414 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TP53 P04637 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20912632 0.88 MAPT (0.55) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL20157358 0.87 KDM4C (0.60) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL20157652 0.83 KDM4C (0.48) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL21362495 0.81 APLNR (0.51) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL20157981 0.81 POLB (0.50) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL21154840 0.80 APLNR (0.52) MAPTALDH1A1TDP1APLNRNPSR1
SCHEMBL21351883 0.80 KDM4C (0.51) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL14994042 0.80 KDM4E (0.50) KDM4CALDH1A1GAAL3MBTL1LMNA
SCHEMBL21555619 0.80 KDM4C (0.47) MAPTKDM4CALDH1A1GAATDP1
SCHEMBL20157455 0.79 APLNR (0.49) MAPTKDM4CALDH1A1GAATDP1

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 3 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
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 237/4885KDM4C 1978/4885ALDH1A1 4457/4885

“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.