SCHEMBL7249392

SCHEMBL7249392

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.50
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC4 P56524 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL451696 0.90 LMNA (0.54) POLBLMNAMAPTHTTNPC1
SCHEMBL7250345 0.85 MAPK1 (0.71) POLBLMNAMAPK1HDAC3HDAC1
SCHEMBL450259 0.85 NPC1 (0.59) POLBMAPTNPC1RAB9AMAPK1
SCHEMBL1233409 0.81 POLB (0.81) POLBLMNAMAPTHTTNPC1
SCHEMBL2631174 0.80 L3MBTL1 (0.68) POLBLMNAMAPTHTTNPC1
SCHEMBL28706039 0.80 NPC1 (0.60) POLBLMNAMAPTHTTNPC1
SCHEMBL28706800 0.80 NPC1 (0.60) POLBLMNAMAPTHTTNPC1
SCHEMBL1231643 0.80 HDAC1 (0.70) POLBLMNANPC1RAB9AHDAC3
SCHEMBL1888791 0.80 HDAC1 (0.70) POLBLMNANPC1RAB9AHDAC3
SCHEMBL1232687 0.80 HDAC1 (0.70) POLBLMNANPC1RAB9AHDAC3

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 POLB 1396/4885LMNA 4240/4885MAPT 4011/4885

“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.