Sugi Predict

Sugi Predict / Compounds / SCHEMBL221398

SCHEMBL221398

SCHEMBL221398

[NH]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.55
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BCHE P06276 2/20 0.40
▸ CES1 P23141 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL30103334 0.85 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.85 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.83 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL22263591 0.80 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4022045 0.77 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
Fluoride Ion SCHEMBL1131318 0.77 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5838693 0.77 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL618215 0.77 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
Bromide SCHEMBL7878842 0.77 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL9791440 0.76 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B

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 128 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
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 — — US 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
CN-117836364-A Resin composition 住友化学株式会社 2024-04-05 — — 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
CN-117083334-A Composition and method for producing the same 住友化学株式会社 2023-11-17 — — 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
EP-0742790-A4 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS INC (US) 1998-05-06 — — EP disclosed
EP-0654093-A4 DETECTING AND AMPLIFYING TARGET NUCLEIC ACIDS USING EXONUCLEOLYTIC ACTIVITY. ABBOTT LAB (US) 1998-01-07 — — EP disclosed
US-5681941-A GENETIC ENGINEERING; CROSSLINKING OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1997-10-28 — — US disclosed
EP-0742790-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1996-11-20 — — EP 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
WO-1995021184-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1995-08-10 — — 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 (3 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 PNMT 1891/4885NPC1 4287/4885RAB9A 4693/4885
US-11930703-B2 Organic compound, light-emitting element, light-emitting device, electronic device, display device, and lighting device TRPA1, SLCO2A1, TYR PNMT 1184/4885NPC1 1166/4885RAB9A 3001/4885
US-20230345817-A1 ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC43A1, SLCO4C1 PNMT 4/4885NPC1 761/4885RAB9A 1778/4885

“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.