SCHEMBL5385279

SCHEMBL5385279

CN(C)C(=O)NCCCC[O]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA4 P43681 1/20 0.53
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 5/20 0.37
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PAOX Q6QHF9 3/20 0.34
EPHX2 P34913 2/20 0.33
POLB P06746 1/20 0.33
CASP2 P42575 1/20 0.33

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
SCHEMBL9601255 0.93 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL3099807 0.88 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL1447304 0.83
SCHEMBL18665310 0.82 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4EMAPK1
SCHEMBL7435302 0.82 EPHX1 (0.58) CHRNB2CHRNB4CHRNA4MEN1KMT2A
SCHEMBL25226017 0.80 EPHX1 (0.61) CHRNB2CHRNB4CHRNA4EPHX1EPHX2
SCHEMBL25271573 0.80 EPHX1 (0.61) CHRNB2CHRNB4CHRNA4EPHX1EPHX2
SCHEMBL25272490 0.80 EPHX1 (0.61) CHRNB2CHRNB4CHRNA4EPHX1EPHX2
SCHEMBL9623877 0.80 EPHX1 (0.61) CHRNB2CHRNB4CHRNA4EPHX1EPHX2
SCHEMBL25229374 0.80 EPHX1 (0.61) CHRNB2CHRNB4CHRNA4EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169816-B2 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY LLC 2006-03-09 US disclosed
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BARRETT STEPHEN DOUGLAS (US) 2005-03-03 US disclosed
US-6821963-B2 PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES INHIBIT CERTAIN DUAL SPECIFICITY KINASE ENZYMES INVOLVED IN PROLIFERATIVE DISEASES SUCH AS CANCER, PSORIASIS AND RESTENOSIS; INHIBIT THE PHOSPHORYLATION OF MAP KINASE BY MEK WARNER-LAMBERT COMPANY 2004-11-23 US disclosed
EP-0993439-B1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2004-09-29 EP disclosed
US-20030078428-A1 Phenylamino benzhydroxamic acid derivatives inhibit certain dual specificity kinase enzymes involved in proliferative diseases such as cancer, psoriasis and restenosis; inhibit the phosphorylation of MAP kinase by MEK BARRETT STEPHEN DOUGLAS (US) 2003-04-24 US disclosed
EP-1202726-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
EP-0993439-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-04-19 EP disclosed
WO-1999001426-A1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-01-14 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 (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-20030078428-A1 Phenylamino benzhydroxamic acid derivatives inhibit certain dual specificity kinase enzymes involved in proliferative diseases such as cancer, psoriasis and restenosis; inhibit the phosphorylation of MAP kinase by MEK MAP2K2, MAP2K7, MAP2K1 CHRNB2 4823/4885CHRNB4 4830/4885CHRNA4 4809/4885
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 CHRNB2 4820/4885CHRNB4 4729/4885CHRNA4 4751/4885
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 CHRNB2 4820/4885CHRNB4 4729/4885CHRNA4 4751/4885

“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.