SCHEMBL24112342

SCHEMBL24112342

COc1cccc2[nH]c(C(=O)N3CC(SC)CC3(C)C)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.53
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
FLT3 P36888 2/20 0.47
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
RCE1 Q9Y256 1/20 0.42
POLB P06746 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
IDO1 P14902 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL25759257 0.87 HRH4 (0.51) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112388 0.86 HRH4 (0.59) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112352 0.84 HRH4 (0.54) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112386 0.84 HRH4 (0.53) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112384 0.84 HRH4 (0.53) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24450251 0.84 HRH4 (0.53) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112391 0.83 HRH4 (0.55) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112928 0.83 HRH4 (0.53) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112357 0.83 HRH4 (0.53) HRH4DRD2DRD3FLT3KMT2A
SCHEMBL24112343 0.83 HRH4 (0.55) HRH4DRD2DRD3FLT3KMT2A

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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 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 (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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HRH4 4013/4885DRD2 4365/4885DRD3 3300/4885

“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.