SCHEMBL20236558

SCHEMBL20236558

COC(=O)c1ccc(CNc2ccc(F)c(Br)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
EGFR P00533 4/20 0.44
ALOX5 P09917 1/20 0.44
HIF1A Q16665 1/20 0.44
NOTUM Q6P988 1/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
CCR6 P51684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DPP4 P27487 2/20 0.40

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
SCHEMBL20236926 0.86 EPHX2 (0.48) CA1CA2MEN1MAPTKMT2A
SCHEMBL20236457 0.85 MAPT (0.60) HKDC1CA1CA2EGFRALOX5
SCHEMBL20236349 0.85 HKDC1 (0.52) HKDC1CA1CA2EGFRALOX5
SCHEMBL16211444 0.84 EGFR (0.52) HKDC1CA1CA2EGFRALOX5
SCHEMBL17618059 0.83 HKDC1 (0.53) HKDC1CA1CA2EGFRALOX5
SCHEMBL30024522 0.82 HIF1A (0.59) HKDC1CA1CA2EGFRALOX5
SCHEMBL18423980 0.82 HIF1A (0.59) HKDC1CA1CA2EGFRALOX5
SCHEMBL20236937 0.81 EGFR (0.52) HKDC1CA1CA2EGFRALOX5
SCHEMBL18464053 0.81 MEN1 (0.55) HKDC1CA1CA2EGFRALOX5
SCHEMBL20236404 0.81 MAPT (0.52) HKDC1CA1CA2ALOX5MEN1

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
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 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-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 HKDC1 289/4885CA1 2283/4885CA2 1755/4885

“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.