SCHEMBL25759301

SCHEMBL25759301

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.43
RCE1 Q9Y256 1/20 0.43
FLT3 P36888 2/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL25759406 0.95 HRH4 (0.50) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759253 0.95 HRH4 (0.52) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL24112358 0.88 HRH4 (0.52) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759308 0.85 HRH4 (0.53) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759251 0.85 HRH4 (0.53) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759249 0.85 HRH4 (0.51) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759248 0.85 HRH4 (0.53) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759407 0.84 HRH4 (0.50) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759257 0.83 HRH4 (0.51) HRH4KMT2AMEN1RCE1FLT3
SCHEMBL25759291 0.83 HRH4 (0.51) HRH4KMT2AMEN1RCE1FLT3

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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 (2 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HRH4 4243/4885KMT2A 3478/4885MEN1 4363/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH4 4259/4885KMT2A 3383/4885MEN1 4306/4885

“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.