SCHEMBL26225756

SCHEMBL26225756

CC(C)c1ccc2c(c1)C1(CCNC1)C(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.58
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PGR P06401 9/20 0.37
▸ CTSC P53634 1/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL26225748 0.92 BACE1 (0.47) BACE1MEN1KMT2AALDH1A1LMNA
SCHEMBL22643827 0.85 PGR (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24026026 0.82 PGR (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL22643832 0.82 PGR (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL22643834 0.81 PGR (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL30506967 0.80 BACE1 (0.47) BACE1PGRCTSCPDE4APDE4B
SCHEMBL25315860 0.80 BACE1 (0.47) BACE1PGRCTSCPDE4APDE4B
SCHEMBL26225737 0.80 BACE1 (0.47) BACE1MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL7492110 0.79 BACE1 (0.44) BACE1PGRHTR2APDE4APDE4B
SCHEMBL19411580 0.78 BACE1 (0.63) BACE1MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — 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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 BACE1 2474/4885MEN1 4567/4885KMT2A 73/4885

“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.

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