SCHEMBL25878287

SCHEMBL25878287

CC(=O)c1c(C)cc(C(F)(F)F)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
CCR5 P51681 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
SDHB P21912 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6582434 0.86 ALDH1A1 (0.44) SMN1; SMN2HSP90AA1HSP90AB1KDM4EHSD17B10
SCHEMBL3536841 0.84 POLB (0.46) HSP90AA1HSP90AB1KMT2AKDM4EALDH1A1
SCHEMBL29489594 0.84 POLB (0.46) HSP90AA1HSP90AB1KMT2AKDM4EALDH1A1
SCHEMBL23269424 0.81 CFTR (0.38) HSP90AA1HSP90AB1KDM4EALDH1A1NPC1
SCHEMBL3539265 0.79 ALDH1A1 (0.51) SMN1; SMN2KMT2AKDM4ETP53HSD17B10
SCHEMBL2381068 0.75 ALDH1A1 (0.52) SMN1; SMN2KMT2AKDM4ETP53HSD17B10
SCHEMBL6217742 0.74 ALDH1A1 (0.61) SMN1; SMN2HSP90AA1HSP90AB1KMT2AHSD17B10
SCHEMBL31214299 0.74 ALDH1A1 (0.43) SMN1; SMN2HSP90AA1HSP90AB1KMT2AKDM4E
SCHEMBL9565873 0.74 ALDH1A1 (0.43) SMN1; SMN2HSP90AA1HSP90AB1KMT2AKDM4E
SCHEMBL30586203 0.74 ALDH1A1 (0.61) SMN1; SMN2HSP90AA1HSP90AB1KMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 SMN1; SMN2 2139/4885HSP90AA1 2316/4885HSP90AB1 1990/4885

“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.