SCHEMBL5384443

SCHEMBL5384443

O=C(NO)c1cccc(F)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.63
CES1 P23141 4/20 0.63
BCHE P06276 1/20 0.63
KAT6A Q92794 2/20 0.53
GAA P10253 3/20 0.50
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MPO P05164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC4 P56524 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL29382881 0.83 GAA (0.67) CES2CES1GAAMMP3HDAC8
SCHEMBL298653 0.83 GAA (0.67) CES2CES1GAAMMP3HDAC8
SCHEMBL28471319 0.82 CES2 (0.61) CES2CES1BCHEKAT6AGAA
SCHEMBL28709174 0.82 HDAC8 (0.48) CES2CES1BCHEGAAMMP3
SCHEMBL1805144 0.82 GAA (0.71) CES2CES1BCHEKAT6AGAA
SCHEMBL29599784 0.82 HDAC8 (0.48) CES2CES1BCHEGAAMMP3
SCHEMBL2646708 0.82 CES2 (0.61) CES2CES1BCHEKAT6AGAA
SCHEMBL8777114 0.81 CES2 (0.61) CES2CES1BCHEGAAMMP3
Hydrochloric Acid SCHEMBL28973500 0.81 GAA (0.64) CES2CES1GAAMMP3HDAC8
SCHEMBL10772687 0.79 CES2 (0.57) CES2CES1BCHEKAT6AGAA

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 4 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

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-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 CES2 3554/4885CES1 1382/4885BCHE 3719/4885
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 CES2 3554/4885CES1 1382/4885BCHE 3719/4885

“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.