SCHEMBL22010503

SCHEMBL22010503

C=CC(=O)N(C)Cc1c(C)oc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
NR1I3 Q14994 1/20 0.43
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 5/20 0.39
EYA3 Q99504 2/20 0.39
PLK1 P53350 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.37
ITK Q08881 1/20 0.37
HCRTR1 O43613 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
Hydrochloric Acid SCHEMBL29958615 0.99 CA2 (0.42) CA2NR1I3THRATHRBCYP2C19
SCHEMBL1252616 0.82 CYP2C19 (0.43) THRBCYP2C19EYA3PLK1MEN1
SCHEMBL725375 0.81 HCRTR1 (0.41) CYP2C19KMT2AEGFRITKHCRTR1
Hydrochloric Acid SCHEMBL4794398 0.80 HCRTR1 (0.41) CYP2C19KMT2AEGFRITKHCRTR1
SCHEMBL1253615 0.80 CYP2C9 (0.40) THRATHRBCYP2C19EYA3MEN1
SCHEMBL725450 0.76 CA2 (0.37) CA2
SCHEMBL725451 0.76 CA2 (0.37) CA2
SCHEMBL21963757 0.75 EGFR (0.33) MEN1KMT2AEGFRITK
Hydrochloric Acid SCHEMBL1251727 0.75
Hydrochloric Acid SCHEMBL1251730 0.75

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151541-B Novel compounds and uses thereof 德彪药业国际股份公司 2024-06-25 CN claimed
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN claimed
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
CN-115151541-B Novel compounds and uses thereof 德彪药业国际股份公司 2024-06-25 CN disclosed
EP-4359079-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International S.A. (CH) 2024-05-01 EP disclosed
CN-117881679-A Novel compounds and uses thereof 德彪药业国际股份公司 2024-04-12 CN disclosed
US-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-05-25 US disclosed
US-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-05-25 US disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2022268890-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2022-12-29 WO disclosed
WO-2022268890-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2022-12-29 WO disclosed
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP disclosed
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN disclosed
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 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 (2 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-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE LSS, PGLS, LDHB CA2 2594/4885NR1I3 1801/4885THRA 3863/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC CA2 4674/4885NR1I3 2836/4885THRA 4638/4885

“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.