SCHEMBL25458

SCHEMBL25458

[c]1cccc2c1Sc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.59
MAPT P10636 10/20 0.59
GAA P10253 9/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
SNCA P37840 3/20 0.59
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 2/20 0.59
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX12 P18054 1/20 0.59
MAOA P21397 1/20 0.59
CNR1 P21554 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL2239233 0.86 NOX1 (0.42) NOX1MAPTGAAMEN1KMT2A
SCHEMBL17418130 0.86 GAA (0.41) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4651 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL29349533 0.76 NOX1 (1.00) NOX1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL9114 0.76 NOX1 (1.00) NOX1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL29352248 0.76 NOX1 (1.00) NOX1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL2504207 0.76 NOX1 (1.00) NOX1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL6315328 0.76 NOX1 (1.00) NOX1MAPTGAAMEN1KMT2A
SCHEMBL28535050 0.76 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
Phenothiazine SCHEMBL23295987 0.74 NOX1 (0.94) NOX1MAPTGAAMEN1KMT2A

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 1770 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
CN-112390811-B Dithia-anthrone derivative and preparation method and application thereof 中国科学院理化技术研究所 2022-03-04 CN claimed
CN-114057711-A Anthracene ketone spiro derivative and preparation method and application thereof 中国科学院理化技术研究所 2022-02-18 CN claimed
CN-107556298-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-12-21 CN claimed
CN-107586290-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-05-11 CN claimed
CN-112390811-A Dithia-anthrone derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-02-23 CN claimed
CN-108493343-B Perovskite film, preparation method thereof and application of film in photoelectric device 清华大学 2020-04-24 CN claimed
CN-110551054-A maleimide derivative, and preparation method and application thereof TECHNICAL INST PHYSICS & CHEMISTRY CAS 2019-12-10 CN claimed
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2019-05-07 US claimed
CN-108493343-A The application of a kind of perovskite thin film and preparation method thereof and the film in the opto-electronic device 清华大学 2018-09-04 CN claimed
CN-101414662-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101412907-A Organic electroluminescent material and its synthesis method and use CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101414661-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
US-20090043116-A1 HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2009-02-12 US claimed
CN-101177608-A Material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO (JP) 2008-05-14 CN claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 CN claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed

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-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 NOX1 1161/4885MAPT 2683/4885GAA 2657/4885
US-20090043116-A1 HETERO-POLYCYCLIC COMPOUNDS, AND COLORING MATTERS, PIGMENTS, DYES, COLOR-CHANGING MATERIAL COMPOSITIONS, AND COLOR-CHANGING FILMS, MADE BY USING THE COMPOUNDS PBRM1, BICRA, PARG NOX1 4230/4885MAPT 190/4885GAA 2227/4885

“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.