SCHEMBL5502679

SCHEMBL5502679

O=C(O)c1cc(Br)ccc1C(Br)Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
MYC P01106 1/20 0.50
NR4A1 P22736 1/20 0.50
SORT1 Q99523 5/20 0.45
METAP2 P50579 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CES2 O00748 1/20 0.44
GALR3 O60755 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL11613901 0.84 KDM4E (0.50) KDM4EGLAMYCNR4A1SORT1
SCHEMBL24680076 0.82 KDM4E (0.53) KDM4EGLAMYCNR4A1SORT1
SCHEMBL19901920 0.81 KDM4E (0.52) KDM4EGLAMYCNR4A1SORT1
SCHEMBL30058887 0.78 NR4A2 (0.53) CYP1A2CYP2C9HPGDCYP2C19MAPT
SCHEMBL4084280 0.78 NR4A2 (0.53) CYP1A2CYP2C9HPGDCYP2C19MAPT
SCHEMBL618056 0.76 KDM4E (0.65) KDM4EGLAMYCNR4A1SORT1
SCHEMBL3172075 0.75 KDM4E (0.50) KDM4EGLAMYCNR4A1SORT1
SCHEMBL29571243 0.75 KDM4E (0.59) KDM4EGLAMYCNR4A1SORT1
SCHEMBL17332 0.75 KDM4E (0.59) KDM4EGLAMYCNR4A1SORT1
SCHEMBL2482965 0.74 KDM4E (0.63) KDM4EGLAMYCNR4A1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105779-A Preparation method of 5-bromo-2-formylbenzoic acid methyl ester 河南师范大学 2023-11-24 CN disclosed
EP-1848463-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO VEHICLES Amgen Inc. (US) 2007-10-31 EP disclosed
US-20060199812-A1 Method of conjugating aminothiol containing molecules to vehicles AMGEN INC. 2006-09-07 US disclosed
WO-2006079099-A2 METHOD OF CONJUGATING AMINOTHIOL CONTAINING MOLECULES TO A POLYMER AMGEN INC. (US) 2006-07-27 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-20060199812-A1 Method of conjugating aminothiol containing molecules to vehicles SLC7A1, QPCT, SLC7A5 KDM4E 4444/4885GLA 4023/4885MYC 2986/4885

“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.