SCHEMBL5221260

SCHEMBL5221260

O=C(O)CCCCCN1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
TSHR P16473 5/20 0.52
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
NOTUM Q6P988 1/20 0.47
SLC22A12 Q96S37 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
RAB9A P51151 1/20 0.43

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
SCHEMBL5939919 0.81 MAPT (0.49) KMT2ATSHRHTR1ASLC6A4NOTUM
SCHEMBL10490569 0.80 HTR1A (0.55) KMT2ATSHRHTR1ASLC6A4NOTUM
SCHEMBL11805707 0.80 HTR1A (0.52) KMT2ATSHRHTR1ASLC6A4NOTUM
SCHEMBL15157267 0.80 KMT2A (0.69) KMT2ATSHRNOTUMPOLBMAPT
SCHEMBL31306532 0.80 KMT2A (0.69) KMT2ATSHRNOTUMPOLBMAPT
SCHEMBL4972560 0.80 RAB9A (0.61) NOTUMSLC22A12MAPTL3MBTL1ALDH1A1
SCHEMBL9247991 0.79 HTR1A (0.56) KMT2ATSHRHTR1ASLC6A4NOTUM
SCHEMBL25396424 0.77 KMT2A (0.40) KMT2ATSHRSLC22A12POLBMAPT
SCHEMBL1858436 0.77 HTR1A (0.54) KMT2ATSHRHTR1ASLC6A4NOTUM
SCHEMBL4970006 0.77 RAB9A (0.61) KMT2ANOTUMSLC22A12POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852427-A1 Biologically active 4H-Benzo [1,4] oxazin-3-ones Ortho-McNeil Pharmaceutical, Inc. (US) 2007-11-07 EP disclosed
EP-1280784-B1 BIOLOGICALLY ACTIVE 4H-BENZO 1,4|OXAZIN-3-ONES ORTHO MCNEIL PHARM INC (US) 2007-06-27 EP disclosed
US-6908908-B2 Biologically active 4H-benzo [1,4] oxazin-3-ones ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
EP-1314729-A1 Biologically active 4H-benzo(1,4)oxazin-3-ones Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP disclosed
US-20030083329-A1 Biologically active 4H-benzo [1,4] oxazin-3-ones ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-01 US disclosed
US-6555536-B2 Antiproliferative agents; antidiabetic agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-29 US disclosed
EP-1280784-A2 BIOLOGICALLY ACTIVE 4H-BENZO 1,4]OXAZIN-3-ONES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-02-05 EP disclosed
US-20020165228-A1 Biologically active 4H-benzo [1,4]oxazin-3-ones ORTH-MCNEIL PHARMACEUTICAL INC. 2002-11-07 US disclosed
WO-2001087862-A2 BIOLOGICALLY ACTIVE 4H-BENZO[1,4]OXAZIN-3-ONES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (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-20030083329-A1 Biologically active 4H-benzo [1,4] oxazin-3-ones PPARD, PPARA, PPARG KMT2A 3579/4885TSHR 1547/4885HTR1A 1076/4885
US-20020165228-A1 Biologically active 4H-benzo [1,4]oxazin-3-ones PPARD, PPARA, PPARG KMT2A 3579/4885TSHR 1547/4885HTR1A 1076/4885

“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.