SCHEMBL24112366

SCHEMBL24112366

CC(=O)c1ncc(-c2ccc3ccccc3c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
FDPS P14324 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.41
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CTRC Q99895 1/20 0.40
SLC6A2 P23975 1/20 0.39

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
SCHEMBL24028908 0.85 LIMK1 (0.42) NPC1RAB9AHSD17B1HSD17B2FDPS
SCHEMBL25782237 0.84 MCL1 (0.42) NPC1RAB9AHSD17B1HSD17B2FDPS
SCHEMBL24112826 0.80 KDR (0.53) NPC1RAB9AHSD17B1HSD17B2KDM4E
SCHEMBL21313815 0.78 ADORA2A (0.49) NPC1RAB9AKDM4EALDH1A1MAPT
Bromide SCHEMBL2527162 0.76 ADORA2A (0.48) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL2037826 0.76 FYN (0.49) MAP4K4HSD17B1HSD17B2KDM4ELMNA
SCHEMBL24112390 0.76 HDAC1 (0.50) NPC1RAB9AHSD17B1HSD17B2KDM4E
SCHEMBL27631112 0.76 HSD17B1 (0.56) NPC1RAB9AHSD17B1HSD17B2FDPS
SCHEMBL24112371 0.75 CSNK2A2 (0.53) NPC1RAB9AHSD17B1HSD17B2KDM4E
SCHEMBL24019902 0.74 MCL1 (0.39) NPC1RAB9ADHODHALDH1A1

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
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO 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 NPC1 481/4885RAB9A 2344/4885MAP4K4 3886/4885

“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.