SCHEMBL19084672

SCHEMBL19084672

Cc1ccc(CNC23CNCCNCC(NCc4ccc(N)cc4)(CNCCNC2)CNCCNC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PLEC Q15149 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL19099646 0.92 LOXL2 (0.39) ALDH1A1MAPTLMNAPPIBPPIA
SCHEMBL15928040 0.88 HDAC3 (0.35) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL19763309 0.86 LOXL2 (0.34) ALDH1A1MAPTLMNAPPIBPPIA
SCHEMBL876031 0.86 LOXL2 (0.34) ALDH1A1MAPTLMNAPPIBPPIA
SCHEMBL19099649 0.80 KMT2A (0.41) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL15928050 0.79 ACHE (0.47) ACHEMAPTPOLBMEN1KMT2A
SCHEMBL19365160 0.79 HDAC3 (0.30) MAOAMAOB
SCHEMBL15928041 0.78 DNM1 (0.32) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL22236839 0.76 MEN1 (0.43) ACHEALDH1A1MAPTKDM4EPOLB
SCHEMBL15928065 0.75 IDO1 (0.39) MAPTKDM4EMEN1THRBKMT2A

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 ACHE 230/4885ALDH1A1 936/4885MAPT 3948/4885

“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.