SCHEMBL30041593

SCHEMBL30041593

CC(C)(C)OC(=O)N(Cc1cnc(Br)nc1)c1cc(Cl)nc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SOS1 Q07889 1/20 0.35
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SSTR4 P31391 1/20 0.31
HIF1A Q16665 1/20 0.31
STK17B O94768 1/20 0.30
STK17A Q9UEE5 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL26260575 1.00 HDAC1 (0.37) HDAC1HDAC8HDAC6SOS1ATF1
SCHEMBL30060442 0.78 KCNQ4 (0.35) HDAC1HDAC8HDAC6SOS1CACNA1G
SCHEMBL23611364 0.77 ALDH1A1 (0.37) HDAC1HDAC8HDAC6SOS1NFKB1
SCHEMBL30060460 0.77 ALDH1A1 (0.37) HDAC1HDAC8HDAC6SOS1NFKB1
SCHEMBL31168452 0.75 PAX8 (0.39) SOS1ATF1NFKB1CACNA1GCACNA1B
SCHEMBL3065683 0.68 BCL2A1 (0.42) HDAC1HDAC8HDAC6
SCHEMBL12675381 0.67 KCNH2 (0.40) HDAC1HDAC8HDAC6SSTR4SCN9A
SCHEMBL30763505 0.67 HDAC1 (0.41) HDAC1HDAC8HDAC6SOS1CACNA1G
SCHEMBL30763497 0.67 HDAC1 (0.49) HDAC1HDAC8HDAC6SOS1SSTR4
SCHEMBL6081384 0.67 MAPK14 (0.43) HDAC1HDAC8HDAC6SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085054-B1 NEW PQSR INVERSE AGONISTS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-02-19 EP disclosed
US-20230286942-A1 NEW PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-09-14 US disclosed
EP-4085054-A1 NEW PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-11-09 EP 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-20230286942-A1 NEW PqsR INVERSE AGONISTS QRFPR, P2RY11, GPR55 HDAC1 3860/4885HDAC8 4392/4885HDAC6 2052/4885

“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.