SCHEMBL5384472

SCHEMBL5384472

NC(=O)c1ccc(F)c(F)c1OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.46
PARP15 Q460N3 1/20 0.44
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
HTR1A P08908 1/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
IP6K1 Q92551 1/20 0.36
DGAT1 O75907 1/20 0.36
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
OPRM1 P35372 1/20 0.35
CXCR5 P32302 2/20 0.35
ROCK2 O75116 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL5400478 0.97 PARP10 (0.43) PARP10PARP15MKNK1MKNK2HTR1A
SCHEMBL6447864 0.87 MKNK1 (0.46) PARP10PARP15MKNK1MKNK2HTR1A
SCHEMBL6450115 0.75 MAP3K5 (0.47) MKNK1MKNK2HTR1AIP6K1
SCHEMBL2721695 0.75 PARP10 (0.56) PARP10PARP15CES2CES1MAP2K2
SCHEMBL16207823 0.74 CES2 (0.44) PARP10PARP15CES2CES1DGAT1
SCHEMBL21939451 0.72 CXCR5 (0.41) PARP10CXCR5PDE4APDE4BPDE4C
SCHEMBL24974632 0.71 CES2 (0.50) CES2CES1
SCHEMBL6447882 0.70 HTR1A (0.56) MKNK1MKNK2HTR1A
SCHEMBL2770591 0.69 CES2 (0.42) PARP10PARP15HTR1ACES2CES1
SCHEMBL13451038 0.69 PARP10 (0.61) PARP10MKNK1MKNK2PDE4APDE4B

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
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
US-6251943-B1 2-(2-AMINO-3-METHOXYPHENYL)4-OXO-4H-(1)BENZOPYRAN A MEK INHIBITOR FOR THE TREATMENT OR PREVENTION OF SEPTIC SHOCK WARNER-LAMBERT COMPANY 2001-06-26 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 PARP10 1001/4885PARP15 719/4885MKNK1 855/4885
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 PARP10 1001/4885PARP15 719/4885MKNK1 855/4885

“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.