SCHEMBL1969983

SCHEMBL1969983

O=C1c2ccccc2-c2nccc3cccc1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 1.00
CYP3A4 P08684 1/20 0.58
PABPC1 P11940 1/20 0.58
DNMT1 P26358 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
ALDH1A1 P00352 2/20 0.53
CTSL P07711 1/20 0.52
PTPRC P08575 1/20 0.52
CTSS P25774 1/20 0.52
PTPN13 Q12923 1/20 0.52
CES2 O00748 1/20 0.50
BCHE P06276 1/20 0.50
CES1 P23141 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL28075835 0.98 MAOA (0.97) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL30416588 0.98 MAOA (0.97) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL25380689 0.86 MAOA (0.75) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL29869412 0.86 MAOA (0.75) MAOACYP3A4PABPC1DNMT1CASP1
Sampangine SCHEMBL6230423 0.85 MAOA (0.74) MAOAALDH1A1CTSLPTPRCCTSS
SCHEMBL1054548 0.85 MAOA (0.73) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL29644349 0.85 MAOA (0.73) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL23972209 0.85 MAOA (0.73) MAOACYP3A4PABPC1DNMT1CASP1
Fluoranthene SCHEMBL11227281 0.83 MAOA (0.71) MAOACYP3A4PABPC1DNMT1CASP1
SCHEMBL18573118 0.83 MAOA (0.70) MAOACYP3A4ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178447-A Polypyridine metal organic ruthenium complex of oxidized iso-aporphine alkaloid and synthetic method and application thereof 广西师范大学 2023-05-30 CN disclosed
CN-116143842-A Cyclometaliridium complex of oxidized iso-aporphine alkaloid and N-heterocyclic carbene, and synthetic method and application thereof 广西师范大学 2023-05-23 CN disclosed
CN-116023417-A N-heterocyclic carbene type cyclometalated ruthenium complex of oxidized iso-aporphine alkaloid, and synthetic method and application thereof 广西师范大学 2023-04-28 CN disclosed
CN-110518450-B Preparation method of light-induced condensing laser and light-induced condensing laser 华南理工大学 2020-04-24 CN 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
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-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
US-4128650-A Dibenzo[de, h]quinoline derivatives RHONE-POULENC INDUSTRIES (FR) 1978-12-05 US 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 MAOA 757/4885CYP3A4 581/4885PABPC1 2858/4885
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 MAOA 629/4885CYP3A4 696/4885PABPC1 4142/4885

“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.