SCHEMBL19099646

SCHEMBL19099646

Nc1ccc(CNC23CNCCNCC(NCc4ccc(N)cc4)(CNCCNC2)CNCCNC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GFER P55789 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
PPID Q08752 2/20 0.34
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
CNR2 P34972 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL876031 0.94 LOXL2 (0.34) LOXL2MAOAMAOBHTTEPHX1
SCHEMBL19763309 0.94 LOXL2 (0.34) LOXL2MAOAMAOBHTTEPHX1
SCHEMBL19084672 0.92 ACHE (0.39) LOXL2MAOAMAOBALDH1A1TDP1
SCHEMBL19099649 0.87 KMT2A (0.41) EPHX1ALDH1A1PPIDHDAC6HDAC8
SCHEMBL19365160 0.86 HDAC3 (0.30) MAOAMAOBHDAC6HDAC8HDAC3
SCHEMBL22236839 0.82 MEN1 (0.43) HTTEPHX1ALDH1A1TDP1MAPT
SCHEMBL15928065 0.81 IDO1 (0.39) CYP3A4TSHRTDP1MAPT
SCHEMBL15929444 0.81 KDM1A (0.43) HTT
SCHEMBL15928040 0.79 HDAC3 (0.35) ALDH1A1MAPTLMNARECQLCNR2
SCHEMBL22236838 0.79 MEN1 (0.38) HTTEPHX1ALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189567-A1 Cage-Like Bifunctional Chelators, Copper-64 Radiopharmaceuticals and PET Imaging Using the Same UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-07-06 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-20170189567-A1 Cage-Like Bifunctional Chelators, Copper-64 Radiopharmaceuticals and PET Imaging Using the Same AOC1, MUSK, CTRC LOXL2 3548/4885MAOA 704/4885MAOB 1426/4885

“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.