SCHEMBL25758831

SCHEMBL25758831

COc1cc(Br)cc2[nH]c(C(=O)NC(C)C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
RCE1 Q9Y256 1/20 0.52
ALOX15 P16050 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
ULK1 O75385 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HCRTR1 O43613 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL24739966 0.84 ALOX15 (0.58) KMT2AMEN1RCE1ALOX15HDAC3
SCHEMBL20494852 0.83 ULK1 (0.53) KMT2AMEN1RCE1HDAC3HDAC4
SCHEMBL30310492 0.83 ULK1 (0.53) KMT2AMEN1RCE1HDAC3HDAC4
SCHEMBL24113497 0.81 KDM4E (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23836099 0.80 KMT2A (0.77) KMT2AMEN1RCE1HDAC3HDAC4
SCHEMBL25758827 0.75 KDM4E (0.52) KMT2AMEN1RCE1ALOX15MAPT
SCHEMBL25758817 0.75 KMT2A (0.54) KMT2AMEN1RCE1ALOX15MAPT
SCHEMBL26906358 0.75 ALDH1A1 (0.47) MAPTKDM4EALDH1A1CYP1A2ALOX12
SCHEMBL25851084 0.74 MEN1 (0.51) KMT2AMEN1RCE1ALOX15HDAC3
SCHEMBL25758848 0.73 ALOX15 (0.70) ALOX15

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-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 KMT2A 3383/4885MEN1 4306/4885RCE1 51/4885

“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.