SCHEMBL4854829

SCHEMBL4854829

Cc1cc(I)ccc1Nc1c(C(=O)NOC(CO)C2CC2)ccc(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAP2K1 Q02750 17/20 0.55
MAP2K2 P36507 11/20 0.55
BRAF P15056 1/20 0.55
MAPK1 P28482 1/20 0.55
MAP2K5 Q13163 1/20 0.55
RAF1 P04049 1/20 0.54
PDGFRB P09619 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
AURKC Q9UQB9 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
PIM1 P11309 1/20 0.52
CAMK2B Q13554 1/20 0.52
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49

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
SCHEMBL4853501 0.92 MAP2K1 (0.66) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861651 0.91 MEN1 (0.68) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4858046 0.89 MAP2K1 (0.68) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4851909 0.89 MEN1 (0.57) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4862174 0.88 MEN1 (0.56) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4860237 0.88 MEN1 (0.56) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4860758 0.86 MEN1 (0.52) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4861933 0.86 MAP2K1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6232002 0.85 MAP2K1 (0.57) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4862685 0.85 MAP2K1 (0.51) MEN1KMT2ATDP1MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 MEN1 4211/4885KMT2A 2093/4885TDP1 2454/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MEN1 3335/4885KMT2A 2409/4885TDP1 2580/4885
US-20030055095-A1 Method of treating or inhibiting neutrophil chemotaxis by administering a mek inhibitor MMP8, SERPINB1, CXCR2 MEN1 2385/4885KMT2A 1471/4885TDP1 4001/4885

“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.