Sugi Predict

Sugi Predict / Compounds / SCHEMBL341002

SCHEMBL341002

SCHEMBL341002

O=[N+]([O-])c1ccc(N2CCOCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ HPGD P15428 1/20 1.00
▸ MAPT P10636 5/20 0.74
▸ LMNA P02545 1/20 0.72
▸ ALOX12 P18054 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ ATM Q13315 1/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NPBWR1 P48145 1/20 0.56
▸ MCHR1 Q99705 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ CRBN Q96SW2 2/20 0.55
▸ POLB P06746 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL24267489 0.87 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL13189739 0.86 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL29739445 0.85 MAPT (0.93) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL238818 0.85 MAPT (1.00) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL940256 0.85 MAPT (0.93) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL1981875 0.84 MAPT (1.00) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL4670939 0.83 MAPT (0.77) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL22465858 0.82 KMT2A (1.00) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL854731 0.81 MAPT (0.74) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL3650629 0.81 MAPT (0.74) ALDH1A1CYP1A2CYP2C9HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137524-B1 HAIR DYEING COMPOSITIONS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1988-01-20 — — EP claimed
US-20250304571-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2025-10-02 — — US disclosed
EP-4618977-A1 LRRK2 INHIBITORS AND USES THEREOF Neuron23, Inc. (US) 2025-09-24 — — EP disclosed
EP-4565588-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF Suzhou Keen Therapeutics Co., Ltd. (CN) 2025-06-11 — — EP disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 — — US disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 — — US disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 — — US disclosed
US-20240217977-A1 DIAZEPANONE-FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. 2024-07-04 — — US disclosed
US-20240208972-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-06-27 — — US disclosed
WO-2024108128-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. (US) 2024-05-23 — — WO disclosed
WO-2002016324-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 — — WO disclosed
WO-2002008232-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 — — WO disclosed
WO-2002006236-A1 N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — WO disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 — — US disclosed
CN-1297888-A 2-(3,5-=-trifluoromethyl-phenyl)-N methyl-N-(6-morpholine-4-radical-4-o-tolyl-pyridine-3-radical)-isobutyryl HOFFMANN LA ROCHE (CH) 2001-06-06 — — CN disclosed
EP-1103545-A1 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide F. HOFFMANN-LA ROCHE AG (CH) 2001-05-30 — — EP disclosed
CN-1270959-A 4-phenyl pyridine derivatives HOFFMANN LA ROCHE (CH) 2000-10-25 — — CN disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 — — EP disclosed
EP-0137524-B1 HAIR DYEING COMPOSITIONS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1988-01-20 — — EP disclosed
EP-0137524-A1 Hair dyeing compositions RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-04-17 — — 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 (4 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-20240217977-A1 DIAZEPANONE-FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, PDXK, TYMS ALDH1A1 1433/4885CYP1A2 133/4885CYP2C9 108/4885
US-20250304571-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF VHL, BRCA1, TERT ALDH1A1 256/4885CYP1A2 1620/4885CYP2C9 2956/4885
US-20240208972-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 ALDH1A1 4316/4885CYP1A2 4773/4885CYP2C9 4662/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 ALDH1A1 4316/4885CYP1A2 4773/4885CYP2C9 4662/4885

“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.