SCHEMBL3304577

SCHEMBL3304577

CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRA6 Q16445 1/20 0.47
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
DRD2 P14416 1/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39

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
SCHEMBL18786857 0.90 MAPT (0.47) MAPTALDH1A1LMNAGABRA1GABRG2
SCHEMBL31351788 0.82 ALDH1A1 (0.45) MAPTALDH1A1LMNAGABRA1GABRG2
SCHEMBL29338553 0.81 PIK3CA (0.47) LMNAPIK3CAMTORESR2NR1H2
SCHEMBL21461289 0.81 ESR2 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2144223 0.80 CA9 (0.46) MAPTALDH1A1LMNACASP1CASP3
SCHEMBL2144236 0.80 CA9 (0.46) MAPTALDH1A1LMNACASP1CASP3
Acetic Acid SCHEMBL31351752 0.80 MAPT (0.42) MAPTALDH1A1LMNAGABRA1GABRG2
SCHEMBL17141692 0.80 PIK3CA (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18863339 0.80 PIK3CA (0.46) PIK3CAMTORESR2NR1H2ACHE
SCHEMBL2145067 0.80 NR1H2 (0.54) ALDH1A1PIK3CAMTORDRD2ESR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777134-B Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2025-02-25 CN disclosed
CN-117777134-A Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-03-29 CN disclosed
CN-116425751-B Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-01-23 CN disclosed
CN-116425751-A Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2023-07-14 CN disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPT 1496/4885ALDH1A1 1694/4885LMNA 2134/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPT 1496/4885ALDH1A1 1694/4885LMNA 2134/4885

“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.