SCHEMBL22716655

SCHEMBL22716655

O=[N+]([O-])c1ccccc1NC1COC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
CASP7 P55210 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HCAR3 P49019 3/20 0.43
KAT2B Q92831 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
KCNMA1 Q12791 1/20 0.41

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
SCHEMBL31192586 1.00 MAPK1 (0.53) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL30936593 0.89 MAPK1 (0.53) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL2257023 0.89 MAPK1 (0.53) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL30673839 0.85 MAPK1 (0.59) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL11901520 0.85 MAPK1 (0.59) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL11901944 0.85 MAPK1 (0.50) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL22725412 0.85 MAPK1 (0.50) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL22725464 0.85 MAPK1 (0.50) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL718625 0.84 MAPK1 (0.65) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL30814542 0.82 MAPK1 (0.44) MAPK1ALDH1A1TDP1CASP7L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976604-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) 2026-01-21 EP disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2023-03-23 US disclosed
EP-3976604-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2022-04-06 EP disclosed
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 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 (2 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B MAPK1 3534/4885ALDH1A1 1451/4885TDP1 28/4885
US-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC6, HDAC1, HDAC2 MAPK1 1762/4885ALDH1A1 154/4885TDP1 1378/4885

“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.