SCHEMBL4862354

SCHEMBL4862354

Cc1cc(I)ccc1Nc1cc(F)c(Br)cc1C(=O)NOCC(O)CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.47
MAP2K2 P36507 5/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCB1 P08183 2/20 0.43
MAP2K5 Q13163 2/20 0.42
BRAF P15056 1/20 0.42
MAPK1 P28482 1/20 0.42
EIF2AK1 Q9BQI3 1/20 0.40

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
SCHEMBL4860576 0.94 MEN1 (0.47) MAP2K1MAP2K2KMT2AMEN1TDP1
SCHEMBL7051618 0.93 MAP2K2 (0.44) MAP2K1MAP2K2KMT2AMEN1TDP1
SCHEMBL4863043 0.93 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL7051395 0.91 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4862073 0.91 MEN1 (0.44) MAP2K1MAP2K2KMT2AMEN1TDP1
SCHEMBL4862967 0.91 MAP2K1 (0.47) MAP2K1MAP2K2KMT2AABCB1MAP2K5
SCHEMBL4864335 0.88 MAP2K1 (0.61) MAP2K1MAP2K2KMT2AMEN1TDP1
SCHEMBL4857657 0.88 MAP2K1 (0.47) MAP2K1MAP2K2KMT2AMEN1TDP1
SCHEMBL4859893 0.87 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4857212 0.86 MAP2K1 (0.55) MAP2K1MAP2K2KMT2AMEN1TDP1

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 5 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

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 4268/4885KMT2A 2093/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885KMT2A 2409/4885

“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.