SCHEMBL4861666

SCHEMBL4861666

O=C(NOCCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 1.00
MAP2K2 P36507 5/20 0.88
HDAC3 O15379 2/20 0.78
HDAC4 P56524 2/20 0.78
HDAC1 Q13547 2/20 0.78
HDAC7 Q8WUI4 2/20 0.78
HDAC2 Q92769 2/20 0.78
HDAC10 Q969S8 2/20 0.78
HDAC11 Q96DB2 2/20 0.78
HDAC8 Q9BY41 2/20 0.78
HDAC6 Q9UBN7 2/20 0.78
HDAC9 Q9UKV0 2/20 0.78
HDAC5 Q9UQL6 2/20 0.78
PIM1 P11309 1/20 0.76
CAMK2B Q13554 1/20 0.76
BRAF P15056 1/20 0.71
MAPK1 P28482 1/20 0.71
MAP2K5 Q13163 1/20 0.71

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
SCHEMBL7051381 0.98 MAP2K1 (0.96) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4856675 0.97 MAP2K1 (0.94) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL29482205 0.94 MAP2K1 (1.00) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4858053 0.94 MAP2K1 (1.00) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4856753 0.91 MAP2K1 (0.83) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4861634 0.91 MAP2K1 (0.83) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL30022418 0.90 MAP2K1 (0.85) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL22030445 0.90 MAP2K1 (0.85) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL14067393 0.90 MAP2K1 (0.82) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4861807 0.89 MAP2K1 (0.81) MAP2K1MAP2K2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US claimed
US-6972298-B2 Method of treating or inhibiting neutrophil chemotaxis by administering a MEK inhibitor WARNER-LAMBERT COMPANY (US) 2005-12-06 US claimed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US claimed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US claimed
CN-1446197-A Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER LAMBERT CO (US) 2003-10-01 CN claimed
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor BARAGI VIJAYKUMAR M (US) 2003-03-20 US claimed
EP-1262176-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor WARNER-LAMBERT COMPANY (US) 2002-12-04 EP claimed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
WO-2012135779-A1 COMBINATIONS OF AKT AND MEK INHIBITOR COMPOUNDS, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
EP-2497825-A1 Novel method for rapid and efficient generation of neuroectoderm cells and peripheral neurons from pluripotent stem cells Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-09-12 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
WO-2009036082-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2009-03-19 WO disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6972298-B2 Method of treating or inhibiting neutrophil chemotaxis by administering a MEK inhibitor WARNER-LAMBERT COMPANY (US) 2005-12-06 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor BARAGI VIJAYKUMAR M (US) 2003-03-20 US disclosed
EP-1262176-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor WARNER-LAMBERT COMPANY (US) 2002-12-04 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 (3 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAP2K1 4341/4885MAP2K2 4268/4885HDAC3 903/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885HDAC3 1650/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 MAP2K1 105/4885MAP2K2 89/4885HDAC3 1148/4885

“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.