SCHEMBL12145708

SCHEMBL12145708

c1ccc2c(c1)ncn1c3c(nc21)C1CCC3C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
ACHE P22303 3/20 0.43
BCHE P06276 1/20 0.43
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
LCK P06239 2/20 0.36
POLB P06746 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL15427917 0.69 ACHE (0.38) KDM4EHSD17B10HPGDACHEBCHE
SCHEMBL7330343 0.68 KDM4E (0.57) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL9984386 0.67 KDM4E (0.65) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL16586809 0.66 KDM4E (0.63) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL30636803 0.65 KDM4E (1.00) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL4787828 0.65 KDM4E (1.00) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL12145661 0.65 KDM4E (0.57) KDM4EHSD17B10HPGDMAPK1ALDH1A1
SCHEMBL17084982 0.64 PARP1 (0.37) KDM4EHSD17B10HPGDACHEBCHE
SCHEMBL13259156 0.64 HSD17B10 (0.51) KDM4EHSD17B10HPGDACHEBCHE
SCHEMBL15428152 0.62 MEN1 (0.36) KDM4EHSD17B10ACHEBCHEMEN1

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-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885HSD17B10 2888/4885HPGD 3882/4885

“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.