SCHEMBL21925569

SCHEMBL21925569

O=C(ON1C(=O)CC(C2c3ccccc3-c3ccccc32)C1=O)ON1C(=O)CC(C2c3ccccc3-c3ccccc32)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL23748027 0.90 LMNA (0.36) LMNAKDM4ETSHRPOLBKMT2A
SCHEMBL472820 0.77 TSHR (0.41) TSHRPOLBKMT2AEDNRBEDNRA
SCHEMBL30477497 0.73 POLB (0.37) TSHRPOLBKMT2AALDH1A1HDAC3
SCHEMBL1834434 0.73 POLB (0.37) TSHRPOLBKMT2AALDH1A1HDAC3
SCHEMBL9461467 0.68 POLB (0.39) TSHRPOLBKMT2AALDH1A1HTT
SCHEMBL334888 0.68 TSHR (0.40) TSHRKMT2AEDNRBEDNRAGAA
SCHEMBL30229708 0.68 TSHR (0.40) TSHRKMT2AEDNRBEDNRAGAA
SCHEMBL1279956 0.67 TSHR (0.40) TSHRKMT2AEDNRBEDNRAGAA
SCHEMBL6422035 0.67 L3MBTL1 (0.54) KDM4ETSHRPOLBKMT2AMAPK1
SCHEMBL5663756 0.67 FABP5 (0.43) TSHRKMT2A

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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R LMNA 3526/4885KDM4E 3003/4885TSHR 2086/4885

“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.