SCHEMBL24258041

SCHEMBL24258041

O=c1ccc(-c2ccc3cnn(Cc4ccc(Cl)c(Cl)c4)c3c2)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
BRD4 O60885 10/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
MET P08581 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
CCR2 P41597 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 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
SCHEMBL24258033 0.77 KCNH2 (0.55) KCNH2TDP1MKNK1MKNK2GRIN2B
SCHEMBL24258034 0.76 KCNH2 (0.69) KCNH2BRD4ALDH1A1HTT
SCHEMBL26004951 0.73 TDP1 (0.42) TDP1BRD4MKNK1MKNK2GRIN1
SCHEMBL29279379 0.73 BRD4 (0.57) BRD4GRIN1GRIN2BMETERCC1
SCHEMBL13508771 0.72 KCNH2 (1.00) KCNH2BRD4ALDH1A1HTT
SCHEMBL13508758 0.70 KCNH2 (0.86) KCNH2BRD4ALDH1A1HTT
SCHEMBL21060746 0.67 RECQL (0.38) KCNH2TDP1GRIN1GRIN2BALDH1A1
SCHEMBL437446 0.66 TDP1 (0.50) KCNH2TDP1MKNK1MKNK2EGLN1
SCHEMBL9917343 0.65 HTR2A (0.53) TDP1GRIN1GRIN2BALDH1A1HTT
SCHEMBL24258038 0.65 ADORA2A (0.58) KCNH2

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
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 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-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 KCNH2 4853/4885TDP1 912/4885BRD4 1847/4885

“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.