SCHEMBL23123715

SCHEMBL23123715

COC(=O)C(C)(C)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 3/20 0.44
KCNMA1 Q12791 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2312212 0.88 NPSR1 (0.50) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL24187914 0.86 PDK1 (0.55) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL11657337 0.84 PDK1 (0.54) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL24202393 0.82 NPSR1 (0.47) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL3592020 0.81 MAPT (0.51) NPSR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8882680 0.80 L3MBTL1 (0.48) NPSR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL677655 0.79 MAPK1 (0.55) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL17200450 0.77 NPSR1 (0.51) NPSR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL29223274 0.76 NPC1 (0.48) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL9806386 0.75 PDK1 (0.54) NPSR1PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11534439-B2 Dihydroquinoxaline and dihydropyridopyrazine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2022-12-27 US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
US-20220016112-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2022-01-20 US disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 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 (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-11534439-B2 Dihydroquinoxaline and dihydropyridopyrazine derivatives as RSV inhibitors SIRT5, QDPR, NOX5 NPSR1 3152/4885PDK1 150/4885PDK2 94/4885
US-20220016112-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS SIRT5, QDPR, NOX5 NPSR1 3152/4885PDK1 150/4885PDK2 94/4885
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 NPSR1 1510/4885PDK1 2465/4885PDK2 1632/4885

“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.