SCHEMBL24112358

SCHEMBL24112358

COc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C)C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.52
KMT2A Q03164 3/20 0.45
FLT3 P36888 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 2/20 0.41
RCE1 Q9Y256 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL24112934 0.95 HRH4 (0.53) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL24112352 0.95 HRH4 (0.54) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL25759301 0.88 HRH4 (0.49) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL24112941 0.85 HRH4 (0.53) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL24112388 0.85 HRH4 (0.59) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL24112384 0.84 HRH4 (0.53) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL24112763 0.83 HRH4 (0.53) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL25759406 0.83 HRH4 (0.50) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL25759253 0.82 HRH4 (0.52) HRH4KMT2AFLT3DRD2DRD3
SCHEMBL24450251 0.82 HRH4 (0.53) HRH4KMT2AFLT3DRD2DRD3

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 4013/4885KMT2A 3130/4885FLT3 2640/4885

“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.