SCHEMBL25758838

SCHEMBL25758838

CC(C)NC(=O)c1cc2c(F)ccc(Br)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
SETD2 Q9BYW2 2/20 0.43
NSD2 O96028 1/20 0.43
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
ALB P02768 2/20 0.40
IL2 P60568 2/20 0.40
HRH4 Q9H3N8 2/20 0.39
ALPL P05186 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
ERN1 O75460 1/20 0.37
MEN1 O00255 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
SCHEMBL25758821 0.88 IDO1 (0.50) ALOX15SETD2NSD2IDO1TDO2
SCHEMBL25758827 0.84 KDM4E (0.52) ALOX15ALDH1A1CYP1A2MAPTALOX12
SCHEMBL24019957 0.83 ALOX15 (0.52) ALOX15SETD2NSD2IDO1TDO2
SCHEMBL24113198 0.81 XDH (0.51) IDO1TDO2HRH4ALPLCYP1A2
SCHEMBL25812300 0.81 ALOX15 (0.46) ALOX15IDO1TDO2ALBIL2
SCHEMBL24019764 0.80 ALOX15 (0.51) ALOX15SETD2NSD2IDO1TDO2
SCHEMBL25758845 0.80 ALOX15 (0.54) ALOX15NSD2ALBIL2ALPL
SCHEMBL24019767 0.78 KDM4E (0.52) ALOX15IDO1TDO2HRH4ALDH1A1
SCHEMBL30310603 0.77 IDO1 (0.58) IDO1TDO2HRH4ALDH1A1MEN1
SCHEMBL24113200 0.77 IDO1 (0.58) IDO1TDO2HRH4ALDH1A1MEN1

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 ALOX15 1455/4885SETD2 2786/4885NSD2 2375/4885

“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.