SCHEMBL2033715

SCHEMBL2033715

CCOC(=O)COc1ncc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.48
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR4 O95977 1/20 0.44
ITGA4 P13612 1/20 0.44
S1PR1 P21453 1/20 0.44
TLR9 Q9NR96 1/20 0.44
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL30492208 1.00 SQOR (0.48) SQORMAPTALDH1A1KDM4EHPGD
SCHEMBL751950 0.81 LMNA (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL30046816 0.81 LMNA (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6637131 0.78 ALDH1A1 (0.52) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2007502 0.78 LMNA (0.49) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL2221831 0.75 KDM4E (0.46) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2686237 0.74 PIK3CB (0.43) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL2686241 0.74 PIK3CB (0.43) MAPTALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL11458373 0.74 AURKA (0.44) MAPTALDH1A1TP53LMNAMAPK1
SCHEMBL14665458 0.73 DGAT1 (0.43) MAPTALDH1A1KDM4ETP53SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466839-B2 Allosteric AKT inhibitors for use in the treatment of Hereditary Hemorrhagic Telangiectasia VADERIS THERAPEUTICS AG (CH) 2025-11-11 US disclosed
US-20240092801-A1 ALLOSTERIC AKT INHIBITORS FOR USE IN THE TREATMENT OF HEREDITARY HEMORRHAGIC TELANGIECTASIA VADERIS THERAPEUTICS AG (CH) 2024-03-21 US disclosed
EP-4221713-A1 ALLOSTERIC AKT INHIBITORS FOR USE IN THE TREATMENT OF HEREDITARY HEMORRHAGIC TELANGIECTASIA Vaderis Therapeutics AG (CH) 2023-08-09 EP disclosed
CN-116419924-A Allosteric AKT inhibitors for the treatment of hereditary hemorrhagic telangiectasia 韦德里斯治疗股份公司 2023-07-11 CN disclosed
WO-2022069552-A1 ALLOSTERIC AKT INHIBITORS FOR USE IN THE TREATMENT OF HEREDITARY HEMORRHAGIC TELANGIECTASIA VADERIS THERAPEUTICS AG (CH) 2022-04-07 WO disclosed
US-9221838-B2 Inhibitors of AKT activity ALMAC DISCOVERY LIMITED (IE) 2015-12-29 US disclosed
EP-2516435-B1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LTD (GB) 2014-08-06 EP disclosed
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2013-05-09 US disclosed
EP-2516435-A1 INHIBITORS OF AKT ACTIVITY Almac Discovery Limited (GB) 2012-10-31 EP disclosed
WO-2011077098-A9 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2012-04-19 WO disclosed
WO-2011077098-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2011-06-30 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-12466839-B2 Allosteric AKT inhibitors for use in the treatment of Hereditary Hemorrhagic Telangiectasia AKT1, PIK3CA, AKT3 SQOR 4090/4885MAPT 2011/4885ALDH1A1 4479/4885
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 SQOR 3227/4885MAPT 1269/4885ALDH1A1 4294/4885
US-20240092801-A1 ALLOSTERIC AKT INHIBITORS FOR USE IN THE TREATMENT OF HEREDITARY HEMORRHAGIC TELANGIECTASIA AKT1, PIK3CA, AKT3 SQOR 4090/4885MAPT 2011/4885ALDH1A1 4479/4885

“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.