SCHEMBL25758827

SCHEMBL25758827

COc1ccc(Br)c2[nH]c(C(=O)NC(C)C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
RCE1 Q9Y256 1/20 0.48
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KLF5 Q13887 2/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL24019767 0.84 KDM4E (0.52) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL23836105 0.84 KDM4E (0.52) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL25758838 0.84 ALOX15 (0.46) ALDH1A1CYP1A2CYP2C19MAPTALOX12
SCHEMBL30310515 0.83 KDM4E (0.57) KDM4EHPGDALDH1A1CYP1A2MAPT
SCHEMBL5106377 0.83 KDM4E (0.57) KDM4EHPGDALDH1A1CYP1A2MAPT
SCHEMBL30310360 0.82 HPGD (0.77) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL24113173 0.82 HPGD (0.77) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL29063346 0.81 KDM4E (0.57) KDM4EHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL23836099 0.76 KMT2A (0.77) KDM4EMAPTKMT2AMEN1RCE1
SCHEMBL25758831 0.75 KMT2A (0.52) KDM4EHPGDALDH1A1CYP1A2CYP2C19

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 KDM4E 3122/4885HPGD 1219/4885ALDH1A1 1863/4885

“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.