SCHEMBL25758841

SCHEMBL25758841

CC(C)NC(=O)c1cc2cc(F)cc(Br)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX15 P16050 1/20 0.47
SETD2 Q9BYW2 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AR P10275 1/20 0.39
ALPL P05186 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
PYGL P06737 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL16571653 0.84 KMT2A (0.50) XDHRXFP1MEN1KMT2ANPC1
SCHEMBL24019772 0.83 ALOX15 (0.53) RXFP1MEN1KMT2ANPC1POLB
SCHEMBL25768556 0.80 MEN1 (0.47) XDHRXFP1MEN1KMT2ANPC1
SCHEMBL25758845 0.78 ALOX15 (0.54) RXFP1MEN1KMT2ANPC1POLB
SCHEMBL214488 0.77 HPGD (0.53) XDHRXFP1MEN1KMT2ANPC1
SCHEMBL25758838 0.76 ALOX15 (0.46) MEN1KMT2AALOX15SETD2ALDH1A1
SCHEMBL13761503 0.75 MLLT1 (0.61) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL16571364 0.75 MAP2K1 (0.50) XDHRXFP1MEN1KMT2ANPC1
SCHEMBL215234 0.74 XDH (0.56) XDHRXFP1MEN1KMT2ANPC1
SCHEMBL24019700 0.74 ALB (0.55) NPC1RAB9AALOX15ARHRH4

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 XDH 1098/4885RXFP1 4557/4885MEN1 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.