SCHEMBL20158091

SCHEMBL20158091

Cc1cc(Br)c(CO)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
UHRF1 Q96T88 1/20 0.39
LMNA P02545 2/20 0.38
PDXK O00764 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AOX1 Q06278 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
DPP4 P27487 1/20 0.33
HTT P42858 1/20 0.32
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL23500825 0.83 UHRF1 (0.39) KDM4EALDH1A1HPGDHSD17B10UHRF1
SCHEMBL5563363 0.81 NOS3 (0.44) UHRF1SLC6A2SLC6A4CYP1A2CYP2A6
SCHEMBL25229069 0.81 SLC6A4 (0.40) UHRF1SLC6A2SLC6A4CYP1A2CYP2A6
SCHEMBL11013326 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10UHRF1
SCHEMBL7880211 0.78 UHRF1 (0.46) KDM4EALDH1A1HPGDHSD17B10UHRF1
Hydrochloric Acid SCHEMBL11468401 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10UHRF1
SCHEMBL30564394 0.77 THRB (0.40) KDM4EHPGDUHRF1LMNAMEN1
SCHEMBL27238810 0.75 PDXK (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10330646 0.75 UHRF1 (0.48) KDM4EALDH1A1HPGDHSD17B10UHRF1
SCHEMBL16517754 0.75 PDXK (0.41) KDM4EALDH1A1HPGDHSD17B10UHRF1

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 KDM4E 2994/4885ALDH1A1 4457/4885HPGD 1266/4885

“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.