SCHEMBL6161278

SCHEMBL6161278

C#Cc1cccc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.48
BTK Q06187 1/20 0.38
NFE2L2 Q16236 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 1/20 0.34
GRM5 P41594 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL30460302 1.00 PDE2A (0.48) PDE2ABTKNFE2L2KDM4EALDH1A1
SCHEMBL8724888 0.93 PDE2A (0.44) PDE2ABTKNFE2L2KDM4EALDH1A1
SCHEMBL874972 0.79 NQO1 (0.44) BTK
SCHEMBL3081309 0.79 BTK (0.38) PDE2ABTKNFE2L2KDM4EALDH1A1
SCHEMBL29530386 0.79 NQO1 (0.44) BTK
SCHEMBL3086121 0.79 BTK (0.41) BTKNFE2L2KDM4EALDH1A1HPGD
SCHEMBL31546809 0.79 PDE2A (0.33) PDE2AALDH1A1GRM5
SCHEMBL21826834 0.79 MAPK8 (0.45) PDE2ABTKALDH1A1GRM5
SCHEMBL31471025 0.79 MAPK8 (0.45) PDE2ABTKALDH1A1GRM5
SCHEMBL23704126 0.78 GRM5 (0.39) BTKKDM4EALDH1A1HPGDGRM5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 EP disclosed
CN-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 CN disclosed
WO-2022247676-A1 COMPOUND WITH DIPYRROLOPYRIDINE STRUCTURE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 南京康屹生物医药中心(有限合伙) 2022-12-01 WO disclosed
CN-115385911-A Compound with dipyrrolopyridine structure, preparation method and medical application 南京康屹生物医药中心(有限合伙) 2022-11-25 CN disclosed
WO-2022013728-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-01-20 WO disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
CN-1976922-B 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMA CO LTD 2012-09-05 CN disclosed
CN-1976922-A 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 2007-06-06 CN disclosed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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 (4 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP PDE2A 1551/4885BTK 2126/4885NFE2L2 435/4885
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 PDE2A 1390/4885BTK 2143/4885NFE2L2 1909/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A PDE2A 1001/4885BTK 940/4885NFE2L2 3560/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP PDE2A 1490/4885BTK 2136/4885NFE2L2 287/4885

“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.