SCHEMBL25758891

SCHEMBL25758891

CC(C)NC(=O)c1cc2c(Cl)nccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RCE1 Q9Y256 1/20 0.44
ALPL P05186 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
KDM5A P29375 1/20 0.41
FDPS P14324 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
IDH1 O75874 1/20 0.39
NUDT1 P36639 1/20 0.39
CCNC P24863 1/20 0.38

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
SCHEMBL24112892 0.85 NUDT1 (0.52) ALOX15KMT2AKDM4EROCK2ROCK1
SCHEMBL24740112 0.83 MEN1 (0.48) ALOX15MEN1KMT2ARCE1KDM4E
SCHEMBL1255142 0.82 CYP1A2 (0.44) KDM4EDYRK1A
SCHEMBL30967478 0.82 CYP1A2 (0.44) KDM4EDYRK1A
SCHEMBL30220550 0.78 ALOX15 (0.54) ALOX15ALPLROCK2ROCK1FDPS
SCHEMBL30189256 0.78 GRIN1 (0.50) MEN1KMT2AKDM4ECCNCCDK8
SCHEMBL24113095 0.78 GRIN1 (0.50) MEN1KMT2AKDM4ECCNCCDK8
SCHEMBL24740396 0.78 ALOX15 (0.57) ALOX15MEN1KMT2ARCE1ALPL
SCHEMBL24019955 0.78 ALOX15 (0.57) ALOX15MEN1KMT2ARCE1KDM4E
SCHEMBL25758815 0.76 ALOX15 (0.58) ALOX15MEN1KMT2ARCE1ALPL

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 1455/4885MEN1 4306/4885KMT2A 3383/4885

“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.