SCHEMBL20157911

SCHEMBL20157911

CON(C)C(=O)c1ccc(N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PTPN1 P18031 2/20 0.36
CYP3A4 P08684 2/20 0.36
ESR2 Q92731 1/20 0.36
MLYCD O95822 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
POLB P06746 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
ALOX5 P09917 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
SCHEMBL2431187 0.82 MEN1 (0.39) ALDH1A1GAAMEN1KMT2ACLK1
SCHEMBL20982522 0.82 MLYCD (0.45) ALDH1A1GAAMEN1KMT2ACLK1
SCHEMBL18152926 0.81 MEN1 (0.44) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL2645212 0.81 PIK3CA (0.45) ALDH1A1GAACLK1DYRK1ADYRK1B
SCHEMBL6496479 0.81 ALDH1A1 (0.63) ALDH1A1GAAMEN1KMT2ACLK1
SCHEMBL616327 0.77 MEN1 (0.35) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL30480696 0.77 MEN1 (0.35) MEN1KMT2ACLK1DYRK1ADYRK1B
SCHEMBL20157582 0.77 L3MBTL1 (0.49) ALDH1A1GAAKMT2ATDP1MAPT
SCHEMBL306847 0.76 HPGD (0.54) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL3172089 0.76 GAA (0.66) ALDH1A1GAAMEN1KMT2AMAPT

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 ALDH1A1 4457/4885GAA 4852/4885MEN1 1304/4885

“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.