SCHEMBL25224096

SCHEMBL25224096

Cn1c(N)nc2cc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.44
▸ KCNH2 Q12809 5/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ GRIN2B Q13224 2/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38

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
SCHEMBL25236686 0.89 KCNH2 (0.41) HDAC6KCNH2GRIN2BNTRK1CSF1R
SCHEMBL30424948 0.89 KCNH2 (0.41) HDAC6KCNH2GRIN2BNTRK1CSF1R
SCHEMBL25215366 0.88 HDAC6 (0.46) HDAC6HDAC1
SCHEMBL30425276 0.88 HDAC6 (0.46) HDAC6HDAC1
SCHEMBL25244121 0.85 HDAC6 (0.44) HDAC6HDAC1
SCHEMBL25267881 0.82 PIK3CA (0.54) HDAC6
SCHEMBL25212862 0.82 HDAC6 (0.44) HDAC6KCNH2HDAC1GRIN2B
SCHEMBL25221488 0.81 HDAC6 (0.52) HDAC6KCNH2HDAC1GRIN2B
SCHEMBL30424699 0.81 HDAC6 (0.52) HDAC6KCNH2HDAC1GRIN2B
SCHEMBL25350301 0.79 HDAC6 (0.48) HDAC6KCNH2HDAC1GRIN2B

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 5 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 claimed
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
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 — — EP 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 HDAC6 1/4885KCNH2 3991/4885HDAC1 2/4885

“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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