SCHEMBL25209603

SCHEMBL25209603

CC(C)(C)OC(=O)N1CCn2ncc(-c3cccc(C#N)c3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 3/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ GPR119 Q8TDV5 6/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ PGGT1B P53609 1/20 0.39
▸ RET P07949 2/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ MGLL Q99685 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
SCHEMBL30552384 1.00 CSNK1E (0.47) CSNK1ECSNK1DGPR119EGLN2HRH2
SCHEMBL19432025 0.84 CYP11B2 (0.56) GPR119EGLN2IRAK4
SCHEMBL20159015 0.84 CKS1B (0.49) CSNK1EGPR119CKS1BSKP1SKP2
SCHEMBL25256810 0.80 PRMT5 (0.42) RETCKS1BSKP1SKP2PRMT5
SCHEMBL26645511 0.79 CSNK1E (0.54) CSNK1ECSNK1DGPR119
SCHEMBL30622830 0.79 CSNK1E (0.54) CSNK1ECSNK1DGPR119
SCHEMBL17925972 0.78 CSNK1D (0.41) CSNK1ECSNK1DPRMT5WDR77
SCHEMBL17936835 0.77 CYP3A4 (0.44) CSNK1ECSNK1DRETPRMT5WDR77
SCHEMBL15933636 0.77 P2RX7 (0.43) CSNK1ECSNK1DGPR119EGLN2HRH2
SCHEMBL17936827 0.75 CSNK1D (0.44) CSNK1ECSNK1DGPR119CKS1BSKP1

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 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 CSNK1E 744/4885CSNK1D 503/4885GPR119 1969/4885

“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