SCHEMBL442293

SCHEMBL442293

CC(C)(C)OC(=O)C(Br)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42

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
SCHEMBL9322023 0.96 HDAC1 (0.47) MEN1KMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL878178 0.92 SMN1; SMN2 (0.45) MMP2MMP9HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL18918957 0.87 MMP2 (0.46) MMP2MMP3MMP9MMP13MEN1
SCHEMBL5031610 0.85 MMP2 (0.44) MMP2MMP3MMP9MMP13MEN1
SCHEMBL6291909 0.81 PKM (0.47) MMP2MMP9HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7438587 0.81 NPC1 (0.50) MEN1KMT2AHDAC1HDAC7NPC1
SCHEMBL5033293 0.81 MMP2 (0.46) MMP2MMP3MMP9MMP13ALDH1A1
SCHEMBL8527564 0.81 HDAC1 (0.49) ALDH1A1LMNAHPGDTSHRNPSR1
SCHEMBL13384515 0.80 ALDH1A1 (0.47) MMP2MMP3MMP9MMP13MEN1
SCHEMBL7289974 0.80 HDAC1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 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 (2 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR MMP2 4623/4885MMP3 4207/4885MMP9 4494/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR MMP2 4627/4885MMP3 4730/4885MMP9 4671/4885

“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.