SCHEMBL4861807

SCHEMBL4861807

O=C(NOCCCO)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.81
MAP2K2 P36507 1/20 0.70
HDAC3 O15379 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
PIM1 P11309 1/20 0.61
CAMK2B Q13554 1/20 0.61

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
SCHEMBL4863091 0.94 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL4860298 0.91 MAP2K1 (0.76) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4861756 0.91 MAP2K1 (0.76) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4863745 0.91 MEN1 (0.71) MAP2K1MAP2K2
SCHEMBL4859788 0.91 MAP2K1 (0.67) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4861666 0.89 MAP2K1 (1.00) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL7055347 0.89 MAP2K1 (0.75) MAP2K1MAP2K2
SCHEMBL4863470 0.88 PIM1 (0.68) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7056183 0.88 MEN1 (0.70) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL7051232 0.88 MAP2K1 (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 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-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

“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.