SCHEMBL7250345

SCHEMBL7250345

O=C(O)CCCCCNC(=O)c1ccc(Br)c(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
LMNA P02545 1/20 0.68
POLB P06746 3/20 0.61
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC3 O15379 8/20 0.51
HDAC4 P56524 8/20 0.51
HDAC1 Q13547 8/20 0.51
HDAC7 Q8WUI4 8/20 0.51
HDAC2 Q92769 8/20 0.51
HDAC10 Q969S8 8/20 0.51
HDAC11 Q96DB2 8/20 0.51
HDAC8 Q9BY41 8/20 0.51
HDAC6 Q9UBN7 8/20 0.51

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
SCHEMBL449891 0.87 MAPK1 (0.66) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL7249392 0.85 POLB (0.54) MAPK1LMNAPOLBKDM4EALDH1A1
SCHEMBL428355 0.84 MAPK1 (1.00) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL5658852 0.83 MAPK1 (0.84) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL16010904 0.83 MAPK1 (0.84) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL5657260 0.81 LMNA (1.00) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL8656369 0.81 MAPK1 (0.73) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL13593351 0.80 LMNA (0.74) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL9183154 0.80 MAPK1 (0.90) MAPK1LMNAPOLBCYP1A2CYP2C9
SCHEMBL24316125 0.79 MAPK1 (0.76) MAPK1LMNAPOLBCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630577-B2 Useful for producing bioconjugates PROLINX, INC. 2003-10-07 US disclosed
EP-1264833-A2 1,2-Phenylenediboronic acid reagents and complexes PROLINX, INC. (US) 2002-12-11 EP disclosed
US-20020038004-A1 1,2-phenylenediboronic acid reagents and complexes PROLINX, INC. 2002-03-28 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 (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-20020038004-A1 1,2-phenylenediboronic acid reagents and complexes BCR, MGST1, SULT1E1 MAPK1 944/4885LMNA 4240/4885POLB 1396/4885

“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.