SCHEMBL9380800

SCHEMBL9380800

C=CCC1COc2ccccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MOGAT2 Q3SYC2 2/20 0.40
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
CTNNB1 P35222 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5 P09917 1/20 0.33
HTR5A P47898 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10476939 1.00 GAA (0.54) GAAMOGAT2ALDH1A1KDM4EMEN1
SCHEMBL7133561 0.79 GAA (0.35) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL5466546 0.78 GAA (0.57) GAAMOGAT2ALDH1A1MEN1KMT2A
SCHEMBL11327486 0.78 GAA (0.57) GAAMOGAT2MEN1KMT2ALMNA
SCHEMBL9511664 0.78 GAA (0.57) GAAMOGAT2MEN1KMT2ALMNA
SCHEMBL9511671 0.78 GAA (0.57) GAAMOGAT2MEN1KMT2ALMNA
SCHEMBL24179180 0.77 GAA (0.54) GAAMOGAT2MEN1KMT2ALMNA
SCHEMBL7297828 0.75 GAA (0.55) GAAMOGAT2ALDH1A1KDM4EMEN1
SCHEMBL11337711 0.75 GAA (0.55) GAAMOGAT2MEN1KMT2ALMNA
SCHEMBL20867680 0.74 GAA (0.54) GAAMOGAT2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4880926-A CRYSTALLIZATION, CAMPHORSULFONIC ACIDS DAIICHI SEIYAKU CO., LTD. (JP) 1989-11-14 US claimed
EP-0304684-A1 Process for the preparation of benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1989-03-01 EP claimed
JP-2031695-A None JP disclosed
JP-1131168-A None JP disclosed
JP-1180867-A None JP disclosed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US disclosed
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
EP-0273399-B1 Optically active 2,3-dihydrobenzoaxine derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1994-08-17 EP disclosed
JP-H0231695-A OPTICAL RESOLUTION USING MICROORGANISM DAI ICHI SEIYAKU CO LTD 1990-02-01 JP disclosed
US-4895944-A BACTERICIDE OFLOXACIN DAIICHI SEIYAKU COMPANY, LTD. (JP) 1990-01-23 US disclosed
US-4880926-A CRYSTALLIZATION, CAMPHORSULFONIC ACIDS DAIICHI SEIYAKU CO., LTD. (JP) 1989-11-14 US disclosed
US-4880926-A CRYSTALLIZATION, CAMPHORSULFONIC ACIDS DAIICHI SEIYAKU CO., LTD. (JP) 1989-11-14 US disclosed
JP-H01180867-A OPTICAL RESOLUTION DAI ICHI SEIYAKU CO LTD 1989-07-18 JP disclosed
JP-H01131168-A PRODUCTION OF BENZOOXAZINE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1989-05-24 JP disclosed
EP-0304684-A1 Process for the preparation of benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1989-03-01 EP disclosed
EP-0304684-A1 Process for the preparation of benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1989-03-01 EP disclosed
EP-0273399-A1 Optically active 2,3-dihydrobenzoaxine derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-07-06 EP disclosed
JP-H00231695-A 0001-01-01 JP 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-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC GAA 400/4885MOGAT2 569/4885ALDH1A1 360/4885

“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.