SCHEMBL20157582

SCHEMBL20157582

CON(C)C(=O)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.42
HTT P42858 4/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.40
MCL1 Q07820 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 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
SCHEMBL7225925 0.90 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAAHTTMAPK1
SCHEMBL7695034 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1GAAHTTTDP1
SCHEMBL6485416 0.84 HTT (0.53) L3MBTL1ALDH1A1GAAHTTMAPK1
SCHEMBL3012179 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAAHTTMAPK1
SCHEMBL7075683 0.84 KMT2A (0.57) L3MBTL1ALDH1A1GAAHTTMAPK1
SCHEMBL5779054 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAAHTTMAPK1
SCHEMBL29073 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAAHTTNPSR1
SCHEMBL4298088 0.81 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAAHTTMAPK1
SCHEMBL2721981 0.80 ALDH1A1 (0.49) ALDH1A1GAAHTTMAPK1NPSR1
SCHEMBL2431187 0.78 MEN1 (0.39) ALDH1A1GAAHTTTDP1KMT2A

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 L3MBTL1 873/4885ALDH1A1 4457/4885GAA 4852/4885

“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.