SCHEMBL30159286

SCHEMBL30159286

O=c1[nH]c2ccccc2c(=O)n1C1CC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
CA12 O43570 1/20 0.46
RNASEH1 O60930 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
CA9 Q16790 1/20 0.46
ERCC4 Q92889 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.44
ALOX12 P18054 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL30858360 0.75 ALDH1A1 (0.62) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6243579 0.75 ALDH1A1 (0.62) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6971456 0.75 LMNA (0.48) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6982576 0.72 CHRM2 (0.58) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL3960105 0.71 ALDH1A1 (0.53) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22692293 0.70 CA12 (0.46) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL791221 0.70 ALDH1A1 (0.75) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL7008960 0.70 ALDH1A1 (0.52) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL13476544 0.69 ALDH1A1 (0.54) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL13801259 0.68 SMN1; SMN2 (0.50) ALDH1A1ADORA3ADORA2AADORA2BADORA1

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-11535598-B2 Histone deacetylases (HDACs) inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2022-12-27 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-11535598-B2 Histone deacetylases (HDACs) inhibitors HDAC1, HDAC3, HDAC2 ALDH1A1 485/4885ADORA3 4570/4885ADORA2A 4401/4885

“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.