SCHEMBL10046635

SCHEMBL10046635

Cc1cc(N(c2ccccc2)c2cccc3ccccc23)cc(N(c2ccccc2)c2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.45
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.36
DHFR P00374 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17636107 0.97 SIGMAR1 (0.45) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1
SCHEMBL13666236 0.91 SIGMAR1 (0.46) SIGMAR1CYP2A6CYP1A2ALDH1A1DHFR
SCHEMBL8040513 0.91 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1
SCHEMBL12249724 0.90 SIGMAR1 (0.46) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1
SCHEMBL12249727 0.89 SIGMAR1 (0.41) SIGMAR1CYP2A6CYP1A2ALDH1A1MAOA
SCHEMBL5385549 0.88 SIGMAR1 (0.43) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1
SCHEMBL9617133 0.88 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1MAOA
SCHEMBL10338332 0.88 SIGMAR1 (0.47) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1
SCHEMBL13720871 0.87 SIGMAR1 (0.44) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1
SCHEMBL4580938 0.87 SIGMAR1 (0.44) SIGMAR1CYP2A6CYP1A2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-10868254-B2 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDS NOVALED GMBH (DE) 2020-12-15 US disclosed
US-10868254-B2 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDS NOVALED GMBH (DE) 2020-12-15 US disclosed
EP-2909872-B1 PHOSPHORESCENT OLED AND HOLE TRANSPORTING MATERIALS FOR PHOSPHORESCENT OLEDS NOVALED GMBH (DE) 2020-01-08 EP disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 US disclosed
US-20190198767-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDS NOVALED GMBH (DE) 2019-06-27 US disclosed
US-20190198767-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDS NOVALED GMBH (DE) 2019-06-27 US disclosed
EP-2673249-B1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2019-04-03 EP disclosed
US-20130261708-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2013-10-03 US disclosed
US-20130253617-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130253617-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130116755-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130116755-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
WO-2012175536-A1 DYES, METHOD OF MAKING THEM, AND THEIR USE IN DYE-SENSITIZED SOLAR CELLS SOLVAY SA (BE) 2012-12-27 WO disclosed
WO-2012107163-A1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed
WO-2012079678-A1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2012038029-A1 PHOSPHORUS-CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-03-29 WO disclosed
WO-2012007103-A1 METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS MERCK PATENT GMBH (DE) 2012-01-19 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 (5 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 SIGMAR1 424/4885CYP2A6 3975/4885CYP1A2 885/4885
US-10868254-B2 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDS SLC29A1, SLC43A3, NUDT1 SIGMAR1 1429/4885CYP2A6 2645/4885CYP1A2 2771/4885
US-20190198767-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDS SLC29A1, SLC43A3, NUDT1 SIGMAR1 1429/4885CYP2A6 2645/4885CYP1A2 2771/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 SIGMAR1 424/4885CYP2A6 3975/4885CYP1A2 885/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 SIGMAR1 424/4885CYP2A6 3975/4885CYP1A2 885/4885

“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.