SCHEMBL5902012

SCHEMBL5902012

O=C(O)CCCNC(=O)C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
EPHX2 P34913 3/20 0.57
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
EPHX1 P07099 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.46
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL6502279 0.98 NAAA (0.62) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL2678008 0.98 NAAA (0.62) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL9831292 0.94 NAAA (0.62) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL9830181 0.93 NAAA (0.65) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL9829575 0.93 NAAA (0.65) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL2331473 0.92 EPHX2 (0.51) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL5655426 0.91 NAAA (0.68) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL7897834 0.91 NAAA (0.68) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL9831902 0.89 NAAA (0.60) NAAAEPHX2KEAP1NFE2L2EPHX1
SCHEMBL3199095 0.88 NAAA (0.53) NAAAEPHX2KEAP1NFE2L2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098207-B2 Imidazotriazinones and the use thereof BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-29 US disclosed
US-20050267112-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (US) 2005-12-01 US disclosed
US-6943163-B2 7-Alkyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
US-6878708-B2 Imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-04-12 US disclosed
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6476029-B1 7-alkyl- and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP 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-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 NAAA 3998/4885EPHX2 2796/4885KEAP1 2014/4885
US-20050267112-A1 Novel imidazotriazinones and the use thereof CYP3A7, CYP4F2, CYP4F3 NAAA 3846/4885EPHX2 2564/4885KEAP1 2606/4885
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones PDE3A, PDE2A, PDE3B NAAA 723/4885EPHX2 1994/4885KEAP1 1800/4885

“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.