SCHEMBL24312307

SCHEMBL24312307

CN[C@H](C=O)Cc1ccc(Br)s1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.31
TNFRSF1A P19438 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL5174394 0.77 TP53 (0.43) KDM4ETDP1L3MBTL1CES2CES1
SCHEMBL5972869 0.74 CES2 (0.35) KDM4ETDP1L3MBTL1CES2CES1
SCHEMBL24311836 0.74 CES2 (0.35) KDM4ETDP1L3MBTL1CES2CES1
SCHEMBL9728068 0.71 CYP2C19 (0.47) L3MBTL1ALDH1A1
SCHEMBL10130574 0.70 KDM4E (0.43) KDM4ETDP1L3MBTL1CES2CES1
SCHEMBL10387818 0.67 KDM4E (0.41) KDM4ETDP1ALDH1A1
SCHEMBL5147000 0.67 KDM4E (0.41) KDM4ETDP1L3MBTL1CES2CES1
SCHEMBL6641492 0.67 KDM4E (0.41) KDM4ETDP1ALDH1A1
SCHEMBL14340880 0.67 L3MBTL1 (0.40) KDM4ETDP1L3MBTL1CES2CES1
SCHEMBL13049960 0.66 KDM4E (0.45) KDM4ETDP1L3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 US 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS KDM4E 4122/4885TDP1 2985/4885L3MBTL1 1218/4885

“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.