SCHEMBL25212862

SCHEMBL25212862

Nc1nc2cc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)c3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.44
▸ KCNH2 Q12809 4/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36

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
SCHEMBL25386557 0.89 HDAC6 (0.40) HDAC6KCNH2GRIN2BPIM1PIM3
SCHEMBL30424439 0.89 HDAC6 (0.40) HDAC6KCNH2GRIN2BPIM1PIM3
SCHEMBL25224096 0.82 HDAC6 (0.44) HDAC6KCNH2GRIN2BHDAC1
SCHEMBL25221488 0.81 HDAC6 (0.52) HDAC6KCNH2GRIN2BHDAC1
SCHEMBL30424699 0.81 HDAC6 (0.52) HDAC6KCNH2GRIN2BHDAC1
SCHEMBL25350301 0.81 HDAC6 (0.48) HDAC6KCNH2GRIN2BHDAC1
SCHEMBL25267881 0.81 PIK3CA (0.54) HDAC6
SCHEMBL25216550 0.81 HDAC6 (0.47) HDAC6PIM1HDAC1
SCHEMBL30425948 0.81 HDAC6 (0.47) HDAC6PIM1HDAC1
SCHEMBL24216378 0.79 HDAC6 (0.64) HDAC6HDAC1

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 4 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
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 3991/4885GRIN2B 987/4885

“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.

Send feedback