SCHEMBL5214798

SCHEMBL5214798

O=C1COc2ccc(C3CCNCC3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.54
DRD2 P14416 5/20 0.53
DRD4 P21917 5/20 0.53
PARP1 P09874 5/20 0.51
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.46
DRD3 P35462 2/20 0.45
SMYD3 Q9H7B4 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
NR3C2 P08235 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 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
Hydrochloric Acid SCHEMBL18305022 0.91 MMP12 (0.50) MMP12DRD2DRD4PARP1GAA
SCHEMBL5214180 0.85 MMP12 (0.50) MMP12DRD2DRD4PARP1GAA
SCHEMBL14564974 0.77 GAA (0.62) MMP12GAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4186254 0.77 PARP1 (0.60) MMP12DRD2DRD4PARP1GAA
SCHEMBL5248767 0.77 HTR1A (0.52) MMP12DRD2DRD4PARP1GAA
Hydrochloric Acid SCHEMBL4184444 0.76 HTR1A (0.52) MMP12DRD2DRD4PARP1GAA
Hydrochloric Acid SCHEMBL5217142 0.76 PARP1 (0.59) MMP12DRD2DRD4PARP1GAA
SCHEMBL13927875 0.75 PARP1 (0.58) MMP12DRD2DRD4PARP1GAA
SCHEMBL30683542 0.75 NR3C2 (0.53) MMP12PARP1GAAALDH1A1KMT2A
SCHEMBL18304960 0.75 PARP1 (0.52) MMP12DRD2DRD4PARP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 MMP12 3044/4885DRD2 1639/4885DRD4 1207/4885

“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.