SCHEMBL3256869

SCHEMBL3256869

COc1ccc(CCNC(=O)C(O)Cc2cc(Br)c(O)c(Br)c2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL3247417 0.93 MEN1 (0.49) HDAC1HDAC6CA12CA1CA2
SCHEMBL3263409 0.91 MEN1 (0.46) HDAC1HDAC6CA12CA1CA2
SCHEMBL3251947 0.86 ICMT (0.47) HDAC1HDAC6CA12CA1CA2
SCHEMBL3277878 0.84 PLK4 (0.52) HDAC1HDAC6CA12CA1CA2
SCHEMBL3250429 0.80 PLK4 (0.49) HDAC1HDAC6CA12CA1CA2
Hemibastadinol 1 SCHEMBL3255108 0.78 PLK4 (0.49) HDAC1HDAC6CA12CA1CA2
SCHEMBL3996984 0.78 SMN1; SMN2 (0.59) HDAC1HDAC6CA12CA1CA2
SCHEMBL3780865 0.78 HDAC1 (0.59) HDAC1HDAC6CA12CA1CA2
SCHEMBL15319511 0.78 CA12 (0.56) HDAC1HDAC6CA12CA1CA2
SCHEMBL13405154 0.76 LMNA (0.56) LMNAKMT2AMAPT

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 7 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-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
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 HDAC1 1807/4885HDAC6 1022/4885CA12 803/4885

“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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