SCHEMBL24258038

SCHEMBL24258038

O=c1ccc(-c2n[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)c[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.58
ADORA1 P30542 4/20 0.56
KCNH2 Q12809 1/20 0.52
SCN3A Q9NY46 1/20 0.51
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 2/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
RNASEH1 O60930 1/20 0.40
PNP P00491 1/20 0.39
TYMP P19971 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL24258053 0.77 ERCC1 (0.49) ADORA2AKCNH2NPC1RAB9APNP
SCHEMBL24258040 0.72 KCNH2 (0.48) KCNH2NPC1RAB9APNP
SCHEMBL24258024 0.71 KCNH2 (0.47) KCNH2NPC1POLBRAB9APNP
SCHEMBL26004959 0.69 ADORA2A (0.54) ADORA2AADORA1SCN3ANR1H2NR1H3
SCHEMBL5755658 0.69 ADORA2A (0.44) ADORA2AADORA1KCNH2RNASEH1PNP
SCHEMBL31305393 0.69 ADORA2A (0.44) ADORA2AADORA1KCNH2RNASEH1PNP
SCHEMBL13508771 0.68 KCNH2 (1.00) KCNH2POLB
Hydrochloric Acid SCHEMBL6581517 0.68 ADORA2A (0.60) ADORA2AADORA1SCN3ANR1H2NR1H3
SCHEMBL22614959 0.66 NR1I3 (0.63) ADORA2AADORA1NR1H2
SCHEMBL13508758 0.66 KCNH2 (0.86) 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 ADORA2A 4568/4885ADORA1 4198/4885KCNH2 4853/4885

“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.