SCHEMBL221399

SCHEMBL221399

[NH]C1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 2/20 0.46
SLC22A2 O15244 1/20 0.40
SLC22A3 O75751 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL524603 0.73 GPR3 (0.50) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL29950614 0.73 GPR3 (0.50) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL1107108 0.71 GPR3 (0.48) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL825558 0.71 HTR2A (0.55) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL9179507 0.69 HTR2A (0.52) HTR2A
SCHEMBL19973035 0.69 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL4989863 0.69 HTR2A (0.58) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL6550865 0.69 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL40598 0.69 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL353865 0.69 HTR2A (0.52) GPR3HTR2AHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428639-B Double-spiro compound and organic light-emitting element comprising same 株式会社LG化学 2020-10-30 CN claimed
CN-117986281-A Boron-containing condensed ring aromatic compound and preparation method and application thereof 深圳大学 2024-05-07 CN disclosed
US-11930703-B2 Organic compound, light-emitting element, light-emitting device, electronic device, display device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-03-12 US disclosed
CN-117598046-A Organic electroluminescent element 保土谷化学工业株式会社 2024-02-23 CN disclosed
CN-113227108-B Compound and organic light emitting diode comprising the same 株式会社LG化学 2024-02-02 CN disclosed
CN-113214202-B Heterocyclic compound and organic light emitting diode comprising the same 株式会社LG化学 2023-11-21 CN disclosed
US-20230345817-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2023-10-26 US disclosed
CN-113056468-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-01 CN disclosed
CN-116530232-A Organic electroluminescent element 保土谷化学工业株式会社 2023-08-01 CN disclosed
EP-4198104-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2023-06-21 EP disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
US-6204260-B1 2-(AZETIDIN-2-ON-1-YL)ACETIC ACID DERIVATIVES ELI LILLY AND COMPANY 2001-03-20 US disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
EP-0654093-A4 DETECTING AND AMPLIFYING TARGET NUCLEIC ACIDS USING EXONUCLEOLYTIC ACTIVITY. ABBOTT LAB (US) 1998-01-07 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
WO-1996015105-A1 FLUORENYL-HYDROXAMIC DERIVATIVES ENDOWED WITH IMMUNOSUPPRESSIVE AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1996-05-23 WO disclosed
WO-1996015105-A1 FLUORENYL-HYDROXAMIC DERIVATIVES ENDOWED WITH IMMUNOSUPPRESSIVE AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1996-05-23 WO disclosed
EP-0654093-A1 DETECTING AND AMPLIFYING TARGET NUCLEIC ACIDS USING EXONUCLEOLYTIC ACTIVITY ABBOTT LABORATORIES (US) 1995-05-24 EP disclosed
WO-1994003636-A1 DETECTING AND AMPLIFYING TARGET NUCLEIC ACIDS USING EXONUCLEOLYTIC ACTIVITY ABBOTT LABORATORIES (US) 1994-02-17 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-11930703-B2 Organic compound, light-emitting element, light-emitting device, electronic device, display device, and lighting device TRPA1, SLCO2A1, TYR GPR3 2890/4885HTR2A 1096/4885SLC22A2 168/4885
US-20230345817-A1 ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC43A1, SLCO4C1 GPR3 4086/4885HTR2A 435/4885SLC22A2 143/4885

“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.