SCHEMBL1974245

SCHEMBL1974245

O=C(NCCc1ccccc1)c1ccccc1Br

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.80
NPC1 O15118 6/20 0.67
RAB9A P51151 5/20 0.67
SIGMAR1 Q99720 1/20 0.60
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NLRP1 Q9C000 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL17372637 0.88 NLRP3 (0.77) NLRP3NPC1RAB9ASIGMAR1ALDH1A1
SCHEMBL28710994 0.83 NLRP3 (0.61) NLRP3RAB9ASIGMAR1ALDH1A1HPGD
SCHEMBL1849467 0.83 MAPT (0.79) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL8055115 0.83 HPGD (0.71) NLRP3HDAC2HDAC8HDAC6HPGD
SCHEMBL15038314 0.82 NLRP3 (0.79) NLRP3RAB9ASIGMAR1ALDH1A1HPGD
SCHEMBL129968 0.81 NPC1 (0.82) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL27380778 0.81 RAB9A (0.60) NLRP3NPC1RAB9AALDH1A1HPGD
SCHEMBL9492146 0.81 NLRP3 (0.77) NLRP3RAB9ASIGMAR1ALDH1A1HPGD
SCHEMBL9489845 0.81 NLRP3 (0.77) NLRP3RAB9ASIGMAR1ALDH1A1HPGD
SCHEMBL14688250 0.80 HPGD (0.63) NLRP3NPC1RAB9AHDAC2HDAC8

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 NLRP3 3371/4885NPC1 2540/4885RAB9A 1486/4885
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 NLRP3 3792/4885NPC1 3776/4885RAB9A 445/4885

“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.