SCHEMBL196651

SCHEMBL196651

Oc1c(-c2nc3ccccc3s2)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
KDM4E B2RXH2 9/20 0.59
MAPT P10636 8/20 0.59
NPC1 O15118 7/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 4/20 0.51
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 2/20 0.51
POLB P06746 3/20 0.51
HSD17B10 Q99714 3/20 0.51
APP P05067 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL30714924 1.00 RAB9A (0.59) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL30714906 0.89 RAB9A (0.64) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL30714892 0.84 RAB9A (0.56) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL5708178 0.83 KDM4E (0.53) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL2225061 0.82 KDM4E (0.64) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL30689066 0.82 KDM4E (0.64) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL28784795 0.81 MAPT (0.56) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL27860579 0.79 KDM4E (0.57) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL13241653 0.78 KDM4E (0.59) RAB9AKDM4EMAPTNPC1NPSR1
SCHEMBL804637 0.78 RAB9A (0.51) RAB9AKDM4EMAPTNPC1NPSR1

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 22 patents — showing the first 20. 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 claimed
JP-2012500235-A 2012-01-05 JP claimed
US-20110108819-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2011-05-12 US claimed
EP-2313383-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE Merck Patent GmbH (DE) 2011-04-27 EP claimed
WO-2010020352-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2010-02-25 WO claimed
WO-2023242454-A1 HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS UNIVERSIDAD DE CASTILLA LA MANCHA (ES) 2023-12-21 WO disclosed
WO-2023120077-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-06-29 WO disclosed
WO-2023120077-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-06-29 WO disclosed
US-9221770-B2 Compounds having electron transport properties, their preparation and use MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
US-9221770-B2 Compounds having electron transport properties, their preparation and use MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
US-9221770-B2 Compounds having electron transport properties, their preparation and use MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
US-20140175398-A1 ARYLAMINE COMPOUND AND ORGANIC LIGHT- EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-26 US disclosed
US-20110108819-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2011-05-12 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
US-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-06-17 US disclosed
WO-2010020352-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2010020352-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
EP-2092040-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME Gracel Display Inc. (KR) 2009-08-26 EP disclosed
WO-2008082249-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-07-10 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 (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-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME EPCAM, ORC3, L1CAM RAB9A 3305/4885KDM4E 1193/4885MAPT 2662/4885
US-20110108819-A1 COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE SLC25A21, SLCO4C1, SLCO1B3 RAB9A 1290/4885KDM4E 4607/4885MAPT 530/4885

“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.