SCHEMBL11657337

SCHEMBL11657337

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CASP7 P55210 1/20 0.51
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL24187914 0.89 PDK1 (0.55) PDK1PDK2PDK3PDK4MEN1
SCHEMBL23123715 0.84 NPSR1 (0.60) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2312212 0.82 NPSR1 (0.50) PDK1PDK2PDK3PDK4MEN1
SCHEMBL7095693 0.82 MAPT (0.51) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4867823 0.82 KMT2A (0.51) PDK1PDK2PDK3PDK4MEN1
SCHEMBL677655 0.81 MAPK1 (0.55) PDK1PDK2PDK3PDK4MEN1
SCHEMBL13729342 0.80 KMT2A (0.53) PDK1PDK2PDK3PDK4MEN1
SCHEMBL8742131 0.80 MAPT (0.54) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL3988345 0.80 MAPT (0.54) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL11658536 0.79 APP (0.54) MEN1KMT2AALDH1A1MAPK1L3MBTL1

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 4 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-20220016112-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2022-01-20 US disclosed
WO-2022010882-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC, (US) 2022-01-13 WO disclosed
US-4110337-A ANALGESIC, ANTIINFLAMMATORY LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-08-29 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-11534439-B2 Dihydroquinoxaline and dihydropyridopyrazine derivatives as RSV inhibitors SIRT5, QDPR, NOX5 PDK1 150/4885PDK2 94/4885PDK3 260/4885
US-20220016112-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS SIRT5, QDPR, NOX5 PDK1 150/4885PDK2 94/4885PDK3 260/4885

“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.