SCHEMBL21352145

SCHEMBL21352145

Cn1cc(-c2cc(NC(=O)OC(C)(C)C)c(Cl)cc2C(=O)c2ccc(F)cc2)c(COC(=O)NC(C)(C)C)cc1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNQ4 P56696 3/20 0.31
KCNQ5 Q9NR82 3/20 0.31
MAPK14 Q16539 1/20 0.31
BRD4 O60885 3/20 0.31
NPY2R P49146 1/20 0.31
RORC P51449 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL20157838 0.87 RAF1 (0.36) ALDH1A1HPGDSMN1; SMN2KCNQ4KCNQ5
SCHEMBL21351986 0.87 BRD4 (0.36) SMN1; SMN2L3MBTL1GAAMAPTKMT2A
SCHEMBL21352144 0.85 POLB (0.34) ALDH1A1HPGDSMN1; SMN2POLBKCNQ4
SCHEMBL21354508 0.84 KCNQ4 (0.36) ALDH1A1HPGDSMN1; SMN2POLBKCNQ4
SCHEMBL21351914 0.77 BRD4 (0.41) SMN1; SMN2MAPTMAPK14BRD4
SCHEMBL21352073 0.76 GAA (0.35) ALDH1A1HPGDGAAMAPTBRD4
SCHEMBL20157758 0.73 RAF1 (0.40) BRD4RORC
SCHEMBL21352108 0.72 BRD4 (0.36) BRD4
SCHEMBL20157868 0.71 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL21351948 0.70 BRD4 (0.33) BRD4

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 2 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

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 4457/4885HPGD 1266/4885SMN1; SMN2 4369/4885

“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.