SCHEMBL2456594

SCHEMBL2456594

Nc1c(C=O)ccc2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MAPT P10636 3/20 0.63
HSP90AA1 P07900 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 2/20 0.63
HSP90AB1 P08238 2/20 0.63
HTT P42858 2/20 0.63
BLM P54132 1/20 0.63
HIF1A Q16665 1/20 0.63
KDM4E B2RXH2 3/20 0.56
ERN1 O75460 4/20 0.54
NPC1 O15118 1/20 0.50
IDO1 P14902 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CYP3A4 P08684 1/20 0.46
NCF1 P14598 1/20 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
Quinoline SCHEMBL27920670 0.82 CYP3A4 (0.53) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL5150835 0.79 ERN1 (0.50) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL29956480 0.78 KDM4E (0.58) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL1071836 0.78 KDM4E (0.58) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL13749211 0.78 ERN1 (0.65) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL1085388 0.78 MAPT (1.00) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL29661896 0.78 MAPT (1.00) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL3409403 0.77 KDM4E (0.56) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL1161054 0.77 KDM4E (0.56) KMT2AMAPTHSP90AA1MEN1LMNA
SCHEMBL29951440 0.77 ERN1 (0.64) KMT2AMAPTHSP90AA1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044284-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
EP-1341403-B1 LUMINESCENT ELEMENT MATERIAL AND LUMINESCENT ELEMENT COMPRISING THE SAME TORAY INDUSTRIES (JP) 2016-05-11 EP disclosed
WO-2015036074-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-03-19 WO disclosed
EP-2365735-B1 Luminescent element material and luminescent element comprising the same TORAY INDUSTRIES (JP) 2013-08-28 EP disclosed
EP-2365735-A2 Luminescent element material and luminescent element comprising the same TORAY INDUSTRIES INC. (JP) 2011-09-14 EP disclosed
US-7318966-B2 Luminescent element material and luminescent element comprising the same TORAY INDUSTRIES, INC. (JP) 2008-01-15 US disclosed
US-20030168970-A1 Luminescent element material and luminescent element comprising the same TORAY INDUSTRIES, INC. (JP) 2003-09-11 US disclosed
EP-1341403-A1 LUMINESCENT ELEMENT MATERIAL AND LUMINESCENT ELEMENT COMPRISING THE SAME Toray Industries, Inc. (JP) 2003-09-03 EP 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-20160233443-A1 Metal Complexes AP1M1, SOD1, AP3M1 KMT2A 2648/4885MAPT 1084/4885HSP90AA1 4306/4885
US-20030168970-A1 Luminescent element material and luminescent element comprising the same SAAL1, EBPL, CSNK1A1L KMT2A 3458/4885MAPT 4865/4885HSP90AA1 3260/4885

“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.