SCHEMBL26226887

SCHEMBL26226887

COC(=O)c1ccc(C(CC2CCC2)N=[N+]=[N-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37

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
SCHEMBL25249914 0.85 MAPT (0.40) MAPTKDM4ECYP3A4ALDH1A1
SCHEMBL26226803 0.84 MAPT (0.42) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL25214563 0.79 SLC6A2 (0.45) MAPTKDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL25213265 0.79 MAPT (0.45) MAPTKDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL26227724 0.78 NPC1 (0.43) MAPTKDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL25212329 0.77 KDM4E (0.47) MAPTKDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL25222349 0.77 DPP4 (0.39) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL21226995 0.75 ALDH1A1 (0.47) MAPTKDM4ENPC1SMN1; SMN2MEN1
SCHEMBL25244432 0.74 RAB9A (0.44) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL13614285 0.74 PDE2A (0.53) MAPTKDM4ENPC1RAB9ACYP3A4

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 MAPT 522/4885KDM4E 562/4885NPC1 3167/4885

“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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