SCHEMBL24112368

SCHEMBL24112368

COc1cccc2[nH]c(C(=O)N3CC(OCc4ccccc4)CC3(C)C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SRD5A2 P31213 1/20 0.47
FLT3 P36888 2/20 0.45
IDO1 P14902 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
RCE1 Q9Y256 1/20 0.43
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
HDAC3 O15379 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
SCHEMBL24112343 0.89 HRH4 (0.55) HRH4NPC1POLBRAB9AFLT3
SCHEMBL25759346 0.88 NPC1 (0.47) HRH4NPC1POLBRAB9ASRD5A2
SCHEMBL24112388 0.86 HRH4 (0.59) HRH4NPC1POLBRAB9AFLT3
SCHEMBL24112403 0.86 KMT2A (0.53) HRH4NPC1POLBRAB9ASRD5A2
SCHEMBL24112373 0.86 HRH4 (0.54) HRH4NPC1POLBRAB9AFLT3
SCHEMBL24112392 0.83 HRH4 (0.53) HRH4NPC1POLBRAB9ASRD5A2
SCHEMBL24112391 0.83 HRH4 (0.55) HRH4NPC1POLBRAB9AFLT3
SCHEMBL24112775 0.82 HRH4 (0.54) HRH4NPC1POLBRAB9AFLT3
SCHEMBL24112384 0.82 HRH4 (0.53) HRH4NPC1POLBRAB9AFLT3
SCHEMBL23835865 0.81 HRH4 (0.59) HRH4NPC1POLBRAB9ASRD5A2

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 4013/4885NPC1 591/4885POLB 2487/4885

“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.