SCHEMBL1549970

SCHEMBL1549970

Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[BaH2]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
RAB9A P51151 9/20 0.71
NPC1 O15118 7/20 0.71
MAPT P10636 7/20 0.71
NPSR1 Q6W5P4 1/20 0.71
ILK Q13418 5/20 0.67
SMN1; SMN2 Q16637 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
GAA P10253 4/20 0.65
POLB P06746 3/20 0.65
HSD17B10 Q99714 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
APP P05067 1/20 0.65
THRB P10828 1/20 0.65
ALOX15 P16050 1/20 0.65
CASP1 P29466 1/20 0.65
SNCA P37840 1/20 0.65
CASP7 P55210 1/20 0.65

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
SCHEMBL30132720 0.98 KDM4E (0.73) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL196475 0.98 KDM4E (0.73) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL1549628 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL1550992 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL1550367 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL1550056 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL1549967 0.96 KDM4E (0.76) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL11910018 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL359505 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1
SCHEMBL3261894 0.96 KDM4E (0.71) KDM4ERAB9ANPC1MAPTNPSR1

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-9221770-B2 Compounds having electron transport properties, their preparation and use MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
US-20110108819-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
EP-2313383-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE Merck Patent GmbH (DE) 2011-04-27 EP disclosed
WO-2010020352-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2010-02-25 WO 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-20110108819-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE SLC25A21, SLCO4C1, SLCO1B3 KDM4E 4607/4885RAB9A 1290/4885NPC1 53/4885

“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.