SCHEMBL3250429

SCHEMBL3250429

O=C(NCCc1cc(Br)c(O)c(Br)c1)C(O)Cc1ccc(O)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ NUAK1 O60285 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ INSR P06213 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ MET P08581 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ CDK4 P11802 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ MAP3K8 P41279 1/20 0.49

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
SCHEMBL3277878 0.95 PLK4 (0.52) PLK4AURKANUAK1EGFRERBB2
Hemibastadinol 1 SCHEMBL3255108 0.93 PLK4 (0.49) PLK4AURKANUAK1EGFRERBB2
SCHEMBL3256869 0.80 HDAC1 (0.46) CA2CA1CA12CA9HDAC1
SCHEMBL3247417 0.76 MEN1 (0.49) CA2CA1CA12CA9HDAC1
SCHEMBL3251947 0.75 ICMT (0.47) CA2CA1CA12CA9HDAC1
SCHEMBL3522487 0.74 KDM6B (0.72) EGFRHDAC1HDAC6KDM6BKDM4E
SCHEMBL3522483 0.74 KDM6B (0.72) EGFRHDAC1HDAC6KDM6BKDM4E
SCHEMBL6797800 0.73 PLK4 (0.80) PLK4AURKANUAK1EGFRERBB2
SCHEMBL27944339 0.73 PLK4 (0.55) PLK4AURKANUAK1EGFRERBB2
SCHEMBL4507770 0.72 KDM6B (0.47) HDAC1HDAC6KDM6BHDAC8HDAC7

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-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 — — US claimed
US-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-17 — — US claimed
EP-1448514-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-25 — — EP claimed
WO-2003042168-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — WO claimed
EP-1448514-B1 NOVEL ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-05-19 — — EP disclosed
US-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 — — US disclosed
US-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-17 — — US disclosed
EP-1448514-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-25 — — EP disclosed
US-6734211-B1 FOR STIMULATING NERVE CELL GROWTH IN A SUBJECT COMPRISING ADMINISTERING TO THE SUBJECT A BASTADIN COMPOUND OR ITS ANALOGS OREGON HEALTH & SCIENCES UNIVERSITY 2004-05-11 — — US disclosed
WO-2003042168-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 — — 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 (1 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-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives CBR3, CBR1, GLRA1 PLK4 4608/4885AURKA 3258/4885NUAK1 2762/4885

“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.

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