SCHEMBL4370752

SCHEMBL4370752

C[Si](C)(C)C#Cc1ccc(CNC(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ACACB O00763 4/20 0.41
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRA4 P48169 2/20 0.37
GABRA6 Q16445 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
CXCR4 P61073 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL30552451 0.82 GABRA1 (0.43) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL4374383 0.79 EGLN1 (0.43) FFAR1ACACBEGLN1KMT2ASMN1; SMN2
SCHEMBL5958393 0.79 CYP1A2 (0.44) FFAR1ACACBHPGDKMT2ASMN1; SMN2
SCHEMBL23201191 0.79 EGLN1 (0.42) FFAR1EGLN1KMT2AL3MBTL1
SCHEMBL30223758 0.78 FFAR1 (0.69) FFAR1ACACBEGLN1
SCHEMBL30707713 0.78 ACACB (0.36) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL3001118 0.77 FFAR1 (0.40) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL30707771 0.77 EGLN2 (0.33) FFAR1ACACB
SCHEMBL30707781 0.75 HDAC8 (0.37) FFAR1ACACBCXCR4KMT2A
SCHEMBL22581561 0.75 ADORA2A (0.47) HPGDKMT2AL3MBTL1SMN1; SMN2MAPT

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 3 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
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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO 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 FFAR1 3358/4885ACACB 376/4885GABRA1 3194/4885

“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.