SCHEMBL4855396

SCHEMBL4855396

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.56
MAP2K2 P36507 10/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PIM1 P11309 1/20 0.49
CAMK2B Q13554 1/20 0.49
BRAF P15056 1/20 0.48
MAPK1 P28482 1/20 0.48
MAP2K5 Q13163 1/20 0.48
IDO1 P14902 1/20 0.47
AURKA O14965 1/20 0.45
TNFRSF1A P19438 1/20 0.45
KDR P35968 1/20 0.45
MAP3K9 P80192 1/20 0.45

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
SCHEMBL4859773 0.91 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4861854 0.91 MAP2K1 (0.52) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4851861 0.90 MEN1 (0.60) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4863864 0.89 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4819057 0.89 MAP2K1 (0.69) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4854725 0.86 MAP2K1 (0.50) MAP2K1MAP2K2IDO1
SCHEMBL4860159 0.83 MAP2K1 (0.75) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL4860946 0.82 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL3831191 0.81 MAP2K1 (0.54) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL5388530 0.81 MAP2K1 (0.60) MAP2K1MAP2K2MEN1KMT2ATDP1

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 8 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
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-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US 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 4268/4885MEN1 4211/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAP2K1 4312/4885MAP2K2 4025/4885MEN1 3335/4885

“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.