SCHEMBL1973786

SCHEMBL1973786

Brc1ccccc1C1=NCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.52
NOS2 P35228 1/20 0.52
MAOA P21397 2/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.40
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.37
CES1 P23141 1/20 0.36
MAPK10 P53779 4/20 0.36
MAPK14 Q16539 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL28190730 0.81 NOS3 (0.55) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL16849921 0.78 NOS3 (0.45) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL2226165 0.78 NOS3 (0.45) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL29498353 0.78 NOS3 (0.52) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL18044406 0.78 NOS3 (0.56) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL6207612 0.78 NOS3 (0.52) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL29384557 0.77 MAPK10 (0.55) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL163051 0.77 MAPK10 (0.55) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL31219707 0.76 NOS3 (0.59) NOS3NOS2MAOAALDH1A1KDM4E
SCHEMBL12352549 0.76 NOS3 (0.59) NOS3NOS2MAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846920-B2 Metal complexes MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846920-B2 Metal complexes MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846920-B2 Metal complexes MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-1675929-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-06-22 EP disclosed
EP-1675929-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-06-22 EP disclosed
US-20100331506-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-20100331506-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-20100331506-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-7820822-B2 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon MERCK PATENT GMBH (DE) 2010-10-26 US disclosed
US-7820822-B2 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon MERCK PATENT GMBH (DE) 2010-10-26 US disclosed
US-7820822-B2 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon MERCK PATENT GMBH (DE) 2010-10-26 US disclosed
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon UDC IRELAND LIMITED (IE) 2007-02-15 US disclosed
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon UDC IRELAND LIMITED (IE) 2007-02-15 US disclosed
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon UDC IRELAND LIMITED (IE) 2007-02-15 US disclosed
EP-1675929-A1 METAL COMPLEXES MERCK PATENT GmbH (DE) 2006-07-05 EP disclosed
WO-2005033244-A1 METAL COMPLEXES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-04-14 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-20100331506-A1 METAL COMPLEXES SOD1, AP1M1, AP2M1 NOS3 2809/4885NOS2 2706/4885MAOA 757/4885
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon NISCH, CISD1, AFF1 NOS3 1383/4885NOS2 976/4885MAOA 629/4885

“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.