SCHEMBL24258040

SCHEMBL24258040

O=c1ccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR1I3 Q14994 2/20 0.48
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
PLAT P00750 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 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
SCHEMBL24258024 0.80 KCNH2 (0.47) KCNH2TDP1NPC1HTTRAB9A
SCHEMBL24258053 0.79 ERCC1 (0.49) KCNH2MAPK1TSHRTDP1ERCC1
SCHEMBL24258038 0.72 ADORA2A (0.58) KCNH2NPC1RAB9APNP
SCHEMBL26004945 0.71 MAPK1 (0.50) MAPK1TSHRTDP1NR1I3ERCC1
SCHEMBL23588090 0.68 TSHR (0.72) MAPK1TSHRTDP1NR1I3ERCC1
SCHEMBL12531864 0.68 NOTUM (0.51) MAPK1NR1I3ERCC1ERCC4NPC1
SCHEMBL14591982 0.67 NPC1 (0.50) MAPK1ERCC1ERCC4NPC1HTT
SCHEMBL26004727 0.66 MAPT (0.47) KCNH2MAPK1TSHRTDP1ERCC1
SCHEMBL13508771 0.65 KCNH2 (1.00) KCNH2HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL26090239 0.65 HTT (0.63) MAPK1TSHRNR1I3ERCC1ERCC4

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 4853/4885MAPK1 829/4885TSHR 4539/4885

“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.