SCHEMBL5227565

SCHEMBL5227565

O=C(O)N1C(=O)COc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.48
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B3 P37058 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
P2RX4 Q99571 2/20 0.45
TP53 P04637 2/20 0.44
CYP2C9 P11712 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
SCHEMBL28265104 0.85 MEN1 (0.52) KMT2AMEN1TSHRALOX12ALDH1A1
SCHEMBL6958446 0.82 KMT2A (0.53) KMT2AMEN1TSHRALOX12ALDH1A1
SCHEMBL5337208 0.82 BCHE (0.49) KMT2AMEN1TSHRALOX12ALDH1A1
SCHEMBL28263925 0.81 TSHR (0.47) KMT2AMEN1TSHRALOX12ALDH1A1
SCHEMBL28265078 0.81 MEN1 (0.46) KMT2AMEN1TSHRALOX12ALDH1A1
SCHEMBL17363875 0.78 KMO (0.51) KMT2AMEN1TSHRPOLBHTT
SCHEMBL17363662 0.78 TSHR (0.42) KMT2AMEN1TSHRALDH1A1CBX7
SCHEMBL17363932 0.78 CHRM5 (0.41) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL2748218 0.77 TSHR (0.53) KMT2AMEN1TSHRALOX12ALDH1A1
SCHEMBL30581468 0.77 TSHR (0.53) KMT2AMEN1TSHRALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557907-A Method for preparing azasetron hydrochloride SICHUAN HAIRONG PHARMACEUTICAL CO LTD YANGTZE RIVER PHARMACEUTICAL GROUP 2015-04-29 CN claimed
CN-104557906-A Method for preparing azasetron hydrochloride SICHUAN HAIRONG PHARMACEUTICAL CO LTD YANGTZE RIVER PHARMACEUTICAL GROUP 2015-04-29 CN claimed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed
CN-104557907-A Method for preparing azasetron hydrochloride SICHUAN HAIRONG PHARMACEUTICAL CO LTD YANGTZE RIVER PHARMACEUTICAL GROUP 2015-04-29 CN disclosed
CN-104557906-A Method for preparing azasetron hydrochloride SICHUAN HAIRONG PHARMACEUTICAL CO LTD YANGTZE RIVER PHARMACEUTICAL GROUP 2015-04-29 CN disclosed
US-7312213-B2 Substituted benzo[e][1,4]oxazino[3,2-g]isoindole compounds LES LABORATORIES SERVIER (FR) 2007-12-25 US disclosed
EP-1556387-B1 SUBSTITUTED BENZOL E| 1,4| OXAZINO 3,2-G| ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-04-04 EP disclosed
EP-1587810-B1 NOVEL SUBSTITUTED 1,4|BENZODIOXINO 2,3-E|ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-11-08 EP disclosed
US-20060003997-A1 Substituted benzo[e] [1,4] oxazino [3,2-g] isoindole compounds LES LABORATOIRES SERVIER (FR) 2006-01-05 US disclosed
EP-1587810-A1 NOVEL SUBSTITUTED 1,4]BENZODIOXINO 2,3-E]ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-10-26 EP disclosed
EP-1556387-A1 SUBSTITUTED BENZOL E] 1,4] OXAZINO 3,2-G] ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2005-07-27 EP disclosed
WO-2004037831-A1 NOVEL SUBSTITUTED[1,4]BENZODIOXINO[2,3-E]ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-06 WO disclosed
WO-2004037829-A1 NOVEL BENZOXAZOLE OR OXAZOLOPYRIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-06 WO disclosed
WO-2004037830-A1 SUBSTITUTED BENZOL[E] [1,4] OXAZINO[3,2-G] ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-06 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 (1 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-20060003997-A1 Substituted benzo[e] [1,4] oxazino [3,2-g] isoindole compounds H1-3, H1-0, H1-2 KMT2A 2620/4885MEN1 1775/4885TSHR 536/4885

“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.