SCHEMBL2233306

SCHEMBL2233306

CC(I)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
GAA P10253 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 4/20 0.47
PKM P14618 1/20 0.47
MGLL Q99685 2/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2235343 0.88 HTR2A (0.52) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL1059539 0.87 HTR2A (0.60) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL27126 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL21097121 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL21098059 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL23922815 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL30871778 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL7989561 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL15459741 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL21097658 0.82 BCL9 (0.56) HTR2AGAABCL9CTNNB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122055373-A Bridged tricyclic carbamoyl pyridone compounds and uses thereof 吉利德科学公司 2026-05-15 CN disclosed
WO-2024259930-A9 PHOSPHONATE COMPOUND AND MEDICAL USE THEREOF 润佳(苏州)医药科技有限公司 2025-04-24 WO disclosed
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 US disclosed
WO-2025080879-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 WO disclosed
WO-2024259930-A1 PHOSPHONATE COMPOUND AND MEDICAL USE THEREOF 润佳(苏州)医药科技有限公司 2024-12-26 WO disclosed
CN-118561872-A Pyrimido-pyridine biological inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-30 CN disclosed
WO-2024125642-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-06-20 WO disclosed
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 US disclosed
US-20240042045-A1 NANOPARTICLES CONTAINING MULTIPLE CLEAVABLE PRODUGS FOR CANCER THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-08 US disclosed
CN-117285566-A Phosphonate compound and medical application thereof 润佳(苏州)医药科技有限公司 2023-12-26 CN disclosed
WO-2011101245-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2011-08-25 WO disclosed
WO-2011092065-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN NICOX S.A. (FR) 2011-08-04 WO disclosed
WO-2011092065-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN NICOX S.A. (FR) 2011-08-04 WO disclosed
WO-2009019534-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (US) 2009-02-12 WO disclosed
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease BELLUS HEALTH INC. (CA) 2008-06-19 US disclosed
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease BELLUS HEALTH INC. (CA) 2008-06-19 US disclosed
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
EP-1202959-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-05-08 EP disclosed
WO-2001005749-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 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 (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-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTR2A 1587/4885GAA 299/4885BCL9 3039/4885
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD HTR2A 4349/4885GAA 1265/4885BCL9 366/4885
US-20240042045-A1 NANOPARTICLES CONTAINING MULTIPLE CLEAVABLE PRODUGS FOR CANCER THERAPY LDLR, LRP6, LIPG HTR2A 3346/4885GAA 137/4885BCL9 1609/4885
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease DNPEP, DAO, APP HTR2A 743/4885GAA 206/4885BCL9 4109/4885

“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.