SCHEMBL3829460

SCHEMBL3829460

O=c1ncc2ccccc2o1.c1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ADRA2A P08913 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
MCL1 Q07820 1/20 0.35
CA9 Q16790 1/20 0.35
SOST Q9BQB4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GPR35 Q9HC97 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
SCHEMBL6938 0.82 PDE3B (0.51) PDE3BPDE3ASIRT1CA12CA1
SCHEMBL30030322 0.82 PDE3B (0.51) PDE3BPDE3ASIRT1CA12CA1
SCHEMBL2919634 0.81 PDE3B (0.50) PDE3BPDE3ASIRT1CA12CA1
Hydrochloric Acid SCHEMBL7394595 0.81 PDE3B (0.50) PDE3BPDE3ASIRT1CA12CA1
Coumarin SCHEMBL9243219 0.79 CA12 (0.62) SIRT1CA12CA1CA2LMNA
SCHEMBL27899495 0.73 MAPT (0.34) CA12CA1CA2LMNACA3
Naphthalene SCHEMBL4047989 0.73 CYP2A6 (0.40) PDE3BPDE3ACA1CA2CA4
Naphthalene SCHEMBL28993985 0.73 CYP2A6 (0.40) PDE3BPDE3ACA1CA2CA4
SCHEMBL7036225 0.72 RAB9A (0.68) GPR35RAB9AMAPTKDM4EALDH1A1
SCHEMBL29216505 0.72 PDE3B (0.37) PDE3BPDE3ACA12CA1CA3

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-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER INC. 2009-12-24 US disclosed
EP-1987025-B1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PROD INC (US) 2009-09-16 EP disclosed
EP-1987025-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pfizer Products Incorporated (US) 2008-11-05 EP disclosed
WO-2007093904-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-23 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-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS HRH2, HRH1, HRH4 PDE3B 1389/4885PDE3A 2130/4885ADRA2A 2030/4885

“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.