SCHEMBL25812174

SCHEMBL25812174

COc1ccc(F)c2[nH]c(C(C)=O)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
IDO1 P14902 7/20 0.52
TDO2 P48775 7/20 0.52
HRH4 Q9H3N8 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KLF5 Q13887 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 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
SCHEMBL1144985 0.88 KDM4E (0.77) KDM4EHPGDIDO1TDO2HRH4
SCHEMBL30310687 0.87 KDM4E (0.57) KDM4EHPGDIDO1TDO2HRH4
SCHEMBL20505200 0.87 KDM4E (0.57) KDM4EHPGDIDO1TDO2HRH4
SCHEMBL4407742 0.83 KDM4E (0.60) KDM4EHPGDHRH4KMT2AMEN1
SCHEMBL24019767 0.82 KDM4E (0.52) KDM4EHPGDIDO1TDO2HRH4
SCHEMBL1144707 0.82 KDM4E (0.52) KDM4EHPGDIDO1TDO2HRH4
SCHEMBL22407908 0.76 KDM4E (0.42) KDM4EHPGDIDO1TDO2KMT2A
SCHEMBL24136190 0.74 HPGD (0.41) KDM4EHPGDIDO1TDO2KMT2A
SCHEMBL29824959 0.74 KDM4E (1.00) KDM4EHPGDIDO1TDO2KMT2A
SCHEMBL3602542 0.74 KDM4E (1.00) KDM4EHPGDIDO1TDO2KMT2A

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV KDM4E 3122/4885HPGD 1219/4885IDO1 1859/4885

“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.