Sugi Predict

Sugi Predict / Compounds / SCHEMBL2060922

SCHEMBL2060922

SCHEMBL2060922

CNCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH3A1 P30838 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ ACHE P22303 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL27326903 0.98 ALDH1A1 (0.56) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL19214784 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL5108066 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL24492287 0.82 ALDH1A1 (0.45) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL29465813 0.82 ALDH1A1 (0.45) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL27274769 0.82 GPR35 (0.58) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL6260274 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL25170415 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL301933 0.81 ALDH1A1 (0.69) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL2088842 0.81 ALDH1A1 (0.63) ALDH1A1TSHRHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
EP-0066885-B1 PROCESS FOR THE PREPARATION OF N-(2-AMINOBENZYL)-1-PHENYL-2-METHYLAMINO-ETHANOL DSO "PHARMACHIM" (BG) 1985-10-09 — — EP claimed
EP-0066885-A1 Process for the preparation of N-(2-aminobenzyl)-1-phenyl-2-methylamino-ethanol DSO "PHARMACHIM" (BG) 1982-12-15 — — EP claimed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 — — CN disclosed
US-20210032250-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-02-04 — — US disclosed
US-20210032250-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-02-04 — — US disclosed
US-10745405-B2 Glucuronide prodrugs of Janus kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
US-10745405-B2 Glucuronide prodrugs of Janus kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
EP-3609899-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2020-02-19 — — EP disclosed
CN-86108705-A Left-handed 1,2-dihydroxyl-3-TERTIARY BUTYL AMINE base propane synthetic method is improved — 1987-12-23 — — CN disclosed
US-4564613-A NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO. (DE) 1986-01-14 — — US disclosed
EP-0066885-B1 PROCESS FOR THE PREPARATION OF N-(2-AMINOBENZYL)-1-PHENYL-2-METHYLAMINO-ETHANOL DSO "PHARMACHIM" (BG) 1985-10-09 — — EP disclosed
EP-0140070-A1 Pyridoindole derivatives, process for their preparation and their use Troponwerke GmbH & Co. KG (DE) 1985-05-08 — — EP disclosed
EP-0066885-A1 Process for the preparation of N-(2-aminobenzyl)-1-phenyl-2-methylamino-ethanol DSO "PHARMACHIM" (BG) 1982-12-15 — — EP disclosed
EP-0066885-A1 Process for the preparation of N-(2-aminobenzyl)-1-phenyl-2-methylamino-ethanol DSO "PHARMACHIM" (BG) 1982-12-15 — — EP disclosed
US-4340600-A Renal dilating methods and compositions using 4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinolines SMITHKLINE CORPORATION (US) 1982-07-20 — — US disclosed
US-4185105-A 4-Phenyl-8-amino-tetrahydroisoquinolines and antidepressant use HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-22 — — US disclosed
EP-0000013-A1 4-Phenyl-8-amino-tetrahydroisoquinolines, pharmaceutical compositions containing them and process for preparation of these compositions HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-20 — — EP 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-20210032250-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS JAK1, UGT1A1, JAK2 ALDH1A1 73/4885TSHR 1932/4885HPGD 615/4885
US-10745405-B2 Glucuronide prodrugs of Janus kinase inhibitors JAK1, UGT1A1, JAK2 ALDH1A1 73/4885TSHR 1932/4885HPGD 615/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 ALDH1A1 13/4885TSHR 4492/4885HPGD 16/4885

“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.