SCHEMBL487216

SCHEMBL487216

CNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.57
AKR1C2 P52895 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
AKR1B10 O60218 1/20 0.57
AKR1B1 P15121 1/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C1 Q04828 1/20 0.57
MAPT P10636 8/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13211382 0.88 MAPT (0.53) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL430629 0.86 MAPT (0.59) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL16840490 0.85 SMN1; SMN2 (0.56) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL28095926 0.85 MAPT (0.49) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
Bromide SCHEMBL20984702 0.83 SMN1; SMN2 (0.54) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
Hydrochloric Acid SCHEMBL20984395 0.83 SMN1; SMN2 (0.54) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL9742270 0.82 MAPT (0.56) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL14387817 0.82 SMN1; SMN2 (0.60) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL4930929 0.82 MAPT (0.68) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1
SCHEMBL6300775 0.82 SMN1; SMN2 (0.53) AKR1C3AKR1C2SMN1; SMN2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630536-B2 Cyanotriazine derivative, preparation method therefor, and application thereof CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2026-05-19 US disclosed
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CHENGDU FANXI BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
EP-4201927-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Chengdu Fanxi Biopharma Co., Ltd. (CN) 2023-06-28 EP disclosed
WO-2023274251-A1 POLYCYCLIC COMPOUND FOR INHIBITING RNA HELICASE DHX33, AND APPLICATION OF COMPOUND 深圳开悦生命科技有限公司 2023-01-05 WO disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6159997-A Treatment of arteriosclerosis and xanthoma SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5798375-A ADMINISTERING TO THE PATIENT PREVASTATIN A HYDROXY-3-METHYL-GLUTARYL/3-/ COENZYME A REDUCTASE INHIBITOR AND A INSULIN SENSITIZER TROGLITAZONE SANKYO COMPANY, LIMITED (JP) 1998-08-25 US disclosed
EP-0753298-A1 Synergistic combination comprising an insulin sensitizer and a HMG-CoA reductase inhibitor for treating arteriosclerosis SANKYO COMPANY LIMITED (JP) 1997-01-15 EP disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 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 (6 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-12630536-B2 Cyanotriazine derivative, preparation method therefor, and application thereof THRB, SLC10A1, THRA AKR1C3 611/4885AKR1C2 464/4885SMN1; SMN2 4723/4885
US-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 AKR1C3 4526/4885AKR1C2 4410/4885SMN1; SMN2 2418/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 AKR1C3 4526/4885AKR1C2 4410/4885SMN1; SMN2 2418/4885
US-20230312527-A1 CYANOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF THRB, SLC5A1, SLC10A1 AKR1C3 1338/4885AKR1C2 496/4885SMN1; SMN2 4868/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 AKR1C3 4526/4885AKR1C2 4410/4885SMN1; SMN2 2418/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 AKR1C3 4526/4885AKR1C2 4410/4885SMN1; SMN2 2418/4885

“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.